Crystallography Open Database





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Searching journal of publication like 'Organic & biomolecular chemistry'

COD ID: 7151831
CIF file Formula: - C27 H17 Cl2 N Se2 -
Comments: Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines. Organic & biomolecular chemistry 9(10) (2011) 3768-3775
Space group: P -1
Cell volume: 1163.33
Cell parameters: 6.0736; 11.6934; 17.749; 74.4693; 86.7204; 73.3481;  

COD ID: 7151830
CIF file Formula: - C17 H17 N O2 S -
Comments: Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles. Organic & biomolecular chemistry 9(10) (2011) 3808-3816
Space group: P -1
Cell volume: 750.8
Cell parameters: 5.805; 10.234; 13.495; 69.524; 88.465; 89.34;  

COD ID: 7151829
CIF file Formula: - C15 H18 O2 -
Comments: Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
Space group: P -1
Cell volume: 1199.33
Cell parameters: 8.3858; 8.9432; 16.6524; 82.616; 76.245; 83.941;  

COD ID: 7151828
CIF file Formula: - C14 H16 O2 -
Comments: Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
Space group: P -1
Cell volume: 1115.3
Cell parameters: 8.5532; 18.428; 8.108; 93.05; 118.249; 94.88;  

COD ID: 7151827
CIF file Formula: - C15 H20 O3 -
Comments: Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. Organic & biomolecular chemistry 9(9) (2011) 3447-3456
Space group: P 1 21/c 1
Cell volume: 1205.45
Cell parameters: 11.2484; 8.5765; 12.9938; 90; 105.921; 90;  

COD ID: 7151825
CIF file Formula: - C49.5 H83 N6 O14 -
Comments: Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. Organic & biomolecular chemistry 9(9) (2011) 3303-3312
Space group: P 1
Cell volume: 2791.8
Cell parameters: 12.9034; 14.8243; 16.6694; 104.879; 93.483; 112.918;  

COD ID: 7151799
CIF file Formula: - C30 H43 N3 O -
Comments: Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C. Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres. Organic & biomolecular chemistry 9(10) (2011) 3672-3680
Space group: P 1 21/n 1
Cell volume: 2784.4
Cell parameters: 10.989; 15.262; 16.648; 90; 94.25; 90;  

COD ID: 7151798
CIF file Formula: - C9 H19 N O -
Comments: Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C. Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres. Organic & biomolecular chemistry 9(10) (2011) 3672-3680
Space group: R -3 :H
Cell volume: 13229
Cell parameters: 18.7761; 18.7761; 43.329; 90; 90; 120;  

COD ID: 7151780
CIF file Formula: - C12 H24 Cl2 I K O6 -
Comments: Mbatia, Hannah W.; Ulloa, Olbelina A.; Kennedy, Daniel P.; Incarvito, Christopher D.; Burdette, Shawn C. Iodination of anilines and phenols with 18-crown-6 supported ICl2-. Organic & biomolecular chemistry 9(8) (2011) 2987-2991
Space group: P 1 21/n 1
Cell volume: 992.95
Cell parameters: 8.886; 8.1987; 13.9274; 90; 101.873; 90;  

COD ID: 7151749
CIF file Formula: - C26.5 H16 Br3 F2 N S3 -
Comments: Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W. Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides. Organic & biomolecular chemistry 9(7) (2011) 2294-2305
Space group: P -1
Cell volume: 1317.9
Cell parameters: 7.0016; 10.9436; 17.466; 92.675; 99.643; 90.003;  

COD ID: 7151742
CIF file Formula: - C14 H16 O4 -
Comments: Nesbitt, Caroline L.; McErlean, Christopher S. P. Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran. Organic & biomolecular chemistry 9(7) (2011) 2198-2208
Space group: P 21 21 21
Cell volume: 1210.27
Cell parameters: 5.4822; 8.8469; 24.9538; 90; 90; 90;  

COD ID: 7150008
CIF file Formula: - C14 H14 O4 -
Comments: Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis. Organic & biomolecular chemistry 3(3) (2005) 508-514
Space group: P 1 21/c 1
Cell volume: 1140.31
Cell parameters: 3.9763; 11.8245; 24.323; 90; 94.353; 90;  

COD ID: 7150009
CIF file Formula: - C13 H12 O4 -
Comments: Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis. Organic & biomolecular chemistry 3(3) (2005) 508-514
Space group: P 1 21/c 1
Cell volume: 1049.3
Cell parameters: 18.985; 3.9181; 14.504; 90; 103.443; 90;  

COD ID: 7150012
CIF file Formula: - C149 H116 N4 Zn -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: P -1
Cell volume: 2700.8
Cell parameters: 10.263; 16.066; 16.779; 82.544; 85.022; 80.666;  

COD ID: 7150013
CIF file Formula: - C162 H107 Br9 N4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: P 42/n :2
Cell volume: 6534.6
Cell parameters: 22.627; 22.627; 12.7634; 90; 90; 90;  

COD ID: 7150014
CIF file Formula: - C168 H110 Cl10 N4 Zn -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: P 42/n :2
Cell volume: 6493.5
Cell parameters: 22.4739; 22.4739; 12.8564; 90; 90; 90;  

COD ID: 7150015
CIF file Formula: - C180 H134 N4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13563.9
Cell parameters: 19.39; 19.39; 36.077; 90; 90; 90;  

COD ID: 7150016
CIF file Formula: - C180 H134 N4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13564.5
Cell parameters: 19.3904; 19.3904; 36.077; 90; 90; 90;  

COD ID: 7150017
CIF file Formula: - C168 H134 Cl8 N4 O4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13703.7
Cell parameters: 19.72; 19.72; 35.239; 90; 90; 90;  

COD ID: 7150018
CIF file Formula: - C180 H132 N4 Zn -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 14018
Cell parameters: 19.612; 19.612; 36.445; 90; 90; 90;  

COD ID: 7150019
CIF file Formula: - C180 H132 N4 Ni -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13347.8
Cell parameters: 19.2176; 19.2176; 36.142; 90; 90; 90;  

COD ID: 7150020
CIF file Formula: - C168 H132 Cl8 N4 Ni O4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13664
Cell parameters: 19.6502; 19.6502; 35.387; 90; 90; 90;  

COD ID: 7150021
CIF file Formula: - C180 H132 N4 Ni -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: I 41/a :2
Cell volume: 13347.8
Cell parameters: 19.2176; 19.2176; 36.142; 90; 90; 90;  

COD ID: 7150022
CIF file Formula: - C127 H88 Cl14 N4 -
Comments: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins. Organic & biomolecular chemistry 3(3) (2005) 448-453
Space group: P -1
Cell volume: 5128
Cell parameters: 16.2354; 18.758; 19.2789; 78.364; 63.381; 88.391;  

COD ID: 7150064
CIF file Formula: - C21.5 H24 N4 O -
Comments: Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone. Organic & biomolecular chemistry 3(7) (2005) 1217-1226
Space group: C 1 2/c 1
Cell volume: 3840.74
Cell parameters: 25.8225; 10.7493; 15.627; 90; 117.694; 90;  

COD ID: 7150085
CIF file Formula: - C41 H43 N O5 -
Comments: Masson, Géraldine; Philouze, Christian; Py, Sandrine Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine. Organic & biomolecular chemistry 3(11) (2005) 2067-2069
Space group: P 21 21 21
Cell volume: 3436
Cell parameters: 5.225; 15.283; 43.03; 90; 90; 90;  

COD ID: 7150088
CIF file Formula: - C22 H31 N3 O6 S -
Comments: Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry 3(2) (2005) 360-365
Space group: P 1 21 1
Cell volume: 1190.76
Cell parameters: 12.723; 5.3119; 17.908; 90; 100.305; 90;  

COD ID: 7150089
CIF file Formula: - C22 H29 N3 O5 S -
Comments: Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry 3(2) (2005) 360-365
Space group: P 1 21 1
Cell volume: 1105.33
Cell parameters: 11.2302; 5.539; 17.85; 90; 95.444; 90;  

COD ID: 7150090
CIF file Formula: - C6 H13 Cl N2 O -
Comments: Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry 3(2) (2005) 360-365
Space group: P 21 21 21
Cell volume: 829.37
Cell parameters: 5.0426; 7.6092; 21.615; 90; 90; 90;  

COD ID: 7150091
CIF file Formula: - C16 H17 N O4 S -
Comments: Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry 3(2) (2005) 360-365
Space group: P 21 21 21
Cell volume: 1564.3
Cell parameters: 5.212; 13.5426; 22.162; 90; 90; 90;  

COD ID: 7150106
CIF file Formula: - C108 H205 N6 O91.5 -
Comments: Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene. Organic & biomolecular chemistry 3(4) (2005) 584-591
Space group: P 1 21 1
Cell volume: 7523
Cell parameters: 15.46; 32.209; 15.512; 90; 103.096; 90;  

COD ID: 7150107
CIF file Formula: - C12 H14 N2 O -
Comments: Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations. Organic & biomolecular chemistry 3(4) (2005) 638-644
Space group: P b c a
Cell volume: 4095.44
Cell parameters: 9.6984; 16.5958; 25.445; 90; 90; 90;  

COD ID: 7150115
CIF file Formula: - C12 H18 Br2 -
Comments: Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry 3(10) (2005) 1880-1892
Space group: P 1 21/a 1
Cell volume: 1268.53
Cell parameters: 7.733; 15.842; 10.62; 90; 102.83; 90;  

COD ID: 7150121
CIF file Formula: - C38 H26.5 N1.5 O -
Comments: Wooi, Goh Yit; White, Jonathan M. Structural manifestations of the cheletropic reaction. Organic & biomolecular chemistry 3(6) (2005) 972-974
Space group: C 1 2/c 1
Cell volume: 5453.3
Cell parameters: 20.7668; 10.7728; 25.164; 90; 104.376; 90;  

COD ID: 7150123
CIF file Formula: - C18 H30 O6 -
Comments: Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C. A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer. Organic & biomolecular chemistry 3(6) (2005) 1081-1088
Space group: P 21 21 21
Cell volume: 1860.13
Cell parameters: 7.0435; 16.1734; 16.3288; 90; 90; 90;  

COD ID: 7150124
CIF file Formula: - C16 H26 O6 -
Comments: Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C. A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer. Organic & biomolecular chemistry 3(6) (2005) 1081-1088
Space group: P 31
Cell volume: 3705.03
Cell parameters: 18.685; 18.685; 12.2539; 90; 90; 120;  

COD ID: 7150127
CIF file Formula: - C17 H25 B F4 O3 S -
Comments: Aggarwal, Varinder K.; Hebach, Christina Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications. Organic & biomolecular chemistry 3(8) (2005) 1419-1427
Space group: P 21 21 21
Cell volume: 1804.75
Cell parameters: 6.7991; 14.3737; 18.467; 90; 90; 90;  

COD ID: 7150131
CIF file Formula: - C19 H31 N O2 -
Comments: Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry 3(8) (2005) 1453-1459
Space group: P -1
Cell volume: 1896.34
Cell parameters: 10.6747; 12.0073; 15.319; 101.634; 99.209; 90.717;  

COD ID: 7150132
CIF file Formula: - C11 H15 N O2 -
Comments: Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry 3(8) (2005) 1453-1459
Space group: P 1 21/c 1
Cell volume: 3457
Cell parameters: 14.266; 12.599; 19.587; 90; 100.86; 90;  

COD ID: 7150133
CIF file Formula: - C19 H36 N2 O3 -
Comments: Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry 3(8) (2005) 1453-1459
Space group: P -1
Cell volume: 1038.7
Cell parameters: 10.0678; 12.211; 9.0829; 97.147; 92.285; 109.753;  

COD ID: 7150134
CIF file Formula: - C16 H24 N2 O3 -
Comments: Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry 3(8) (2005) 1453-1459
Space group: P -1
Cell volume: 1731.8
Cell parameters: 12.233; 13.207; 11.841; 105.46; 109.07; 90.81;  

COD ID: 7150135
CIF file Formula: - C20 H35 N3 O3 -
Comments: Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry 3(8) (2005) 1453-1459
Space group: C m c 21
Cell volume: 2104.8
Cell parameters: 13.2912; 13.0775; 12.1094; 90; 90; 90;  

COD ID: 7150143
CIF file Formula: - C27 H34 N2 O4 -
Comments: Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D. Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester. Organic & biomolecular chemistry 3(8) (2005) 1435-1447
Space group: P 1 21 1
Cell volume: 1230.77
Cell parameters: 13.383; 7.0716; 13.9236; 90; 110.93; 90;  

COD ID: 7150158
CIF file Formula: - C3 F9 K N2 O5 S3 -
Comments: Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M. Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide. Organic & biomolecular chemistry 3(12) (2005) 2239-2243
Space group: P b c n
Cell volume: 2644.1
Cell parameters: 22.385; 16.653; 7.093; 90; 90; 90;  

COD ID: 7150159
CIF file Formula: - C4 F12 K N3 O6 S4 -
Comments: Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M. Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide. Organic & biomolecular chemistry 3(12) (2005) 2239-2243
Space group: P b c a
Cell volume: 3706
Cell parameters: 13.479; 11.203; 24.545; 90; 90; 90;  

COD ID: 7150167
CIF file Formula: - C21 H20 O4 -
Comments: Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A. Organic & biomolecular chemistry 3(12) (2005) 2296-2304
Space group: P b c a
Cell volume: 3488.1
Cell parameters: 22.3809; 17.2516; 9.034; 90; 90; 90;  

COD ID: 7150168
CIF file Formula: - C20 H18 O4 -
Comments: Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A. Organic & biomolecular chemistry 3(12) (2005) 2296-2304
Space group: P n a 21
Cell volume: 1653.9
Cell parameters: 8.471; 11.811; 16.531; 90; 90; 90;  

COD ID: 7150169
CIF file Formula: - C18 H20 O6 -
Comments: Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A. Organic & biomolecular chemistry 3(12) (2005) 2296-2304
Space group: P -1
Cell volume: 828.6
Cell parameters: 9.275; 13.425; 7.83; 106.14; 114.52; 71.4;  

COD ID: 7150170
CIF file Formula: - C20 H18 O4 -
Comments: Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A. Organic & biomolecular chemistry 3(12) (2005) 2296-2304
Space group: P 1 21/n 1
Cell volume: 1637.8
Cell parameters: 11.759; 9.091; 15.774; 90; 103.766; 90;  

COD ID: 7150171
CIF file Formula: - C123 H193.5 O35.5 -
Comments: Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents. Organic & biomolecular chemistry 3(14) (2005) 2588-2592
Space group: P 21 21 21
Cell volume: 13790.9
Cell parameters: 16.378; 27.7666; 30.3256; 90; 90; 90;  

COD ID: 7150182
CIF file Formula: - C9.8 H12 F6 N2 O4 S2 -
Comments: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines. Organic & biomolecular chemistry 3(14) (2005) 2566-2571
Space group: P 32 2 1
Cell volume: 2504.97
Cell parameters: 14.3841; 14.3841; 13.98; 90; 90; 120;  

COD ID: 7150184
CIF file Formula: - C30 H32 F6 N2 Ni O8 S2 -
Comments: Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione. Organic & biomolecular chemistry 3(16) (2005) 2910-2913
Space group: P 1 21/a 1
Cell volume: 3342
Cell parameters: 11.503; 15.7; 18.53; 90; 92.82; 90;  

COD ID: 7150185
CIF file Formula: - C40 H44 Br2 O4 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: P -1
Cell volume: 1872.5
Cell parameters: 10.055; 13.297; 15.802; 75.124; 74.149; 69.449;  

COD ID: 7150186
CIF file Formula: - C26 H28 O2 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: C 1 2/c 1
Cell volume: 4237.5
Cell parameters: 24.088; 12.665; 17.274; 90; 126.477; 90;  

COD ID: 7150187
CIF file Formula: - C64 H64 O4 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: P 1 21/c 1
Cell volume: 5194.8
Cell parameters: 14.921; 18.436; 19.88; 90; 108.21; 90;  

COD ID: 7150188
CIF file Formula: - C20 H22 Br2 O2 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: P n m a
Cell volume: 3845.77
Cell parameters: 23.851; 12.333; 13.074; 90; 90; 90;  

COD ID: 7150189
CIF file Formula: - C144 H192 O12 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: P 1 21/c 1
Cell volume: 12567.7
Cell parameters: 13.9231; 35.1563; 25.7578; 90; 94.5875; 90;  

COD ID: 7150190
CIF file Formula: - C20 H24 O2 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: C 1 2/c 1
Cell volume: 3370.71
Cell parameters: 25.714; 8.002; 19.113; 90; 121.009; 90;  

COD ID: 7150191
CIF file Formula: - C56 H80 O4 -
Comments: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state. Organic & biomolecular chemistry 3(14) (2005) 2572-2578
Space group: P -1
Cell volume: 2476.72
Cell parameters: 10.3974; 13.0709; 19.4131; 107.941; 93.567; 97.093;  

COD ID: 7150213
CIF file Formula: - C30 H35 N O4 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M. Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives. Organic & biomolecular chemistry 3(15) (2005) 2762-2775
Space group: P 21 21 21
Cell volume: 2598.34
Cell parameters: 8.6059; 11.6484; 25.9199; 90; 90; 90;  

COD ID: 7150214
CIF file Formula: - C31 H37 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M. Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives. Organic & biomolecular chemistry 3(15) (2005) 2762-2775
Space group: P 21 21 21
Cell volume: 2606.38
Cell parameters: 9.4415; 15.0875; 18.297; 90; 90; 90;  

COD ID: 7150215
CIF file Formula: - C28 H31 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M. Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives. Organic & biomolecular chemistry 3(15) (2005) 2762-2775
Space group: P 1 21/c 1
Cell volume: 2299.17
Cell parameters: 10.0421; 9.1315; 25.1731; 90; 95.1151; 90;  

COD ID: 7150216
CIF file Formula: - C58 H48 O4 -
Comments: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls. Organic & biomolecular chemistry 3(16) (2005) 3024-3031
Space group: P 1 21/c 1
Cell volume: 4370
Cell parameters: 10.54; 25.92; 16.25; 90; 100.15; 90;  

COD ID: 7150217
CIF file Formula: - C48 H30 O2 -
Comments: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls. Organic & biomolecular chemistry 3(16) (2005) 3024-3031
Space group: P 1 21/n 1
Cell volume: 3365.9
Cell parameters: 11.977; 24.465; 12.25; 90; 110.328; 90;  

COD ID: 7150218
CIF file Formula: - C52 H42 Cl12 O4 Sb2 -
Comments: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls. Organic & biomolecular chemistry 3(16) (2005) 3024-3031
Space group: C 1 2/m 1
Cell volume: 6126
Cell parameters: 18.425; 34.5; 10.674; 90; 115.457; 90;  

COD ID: 7150219
CIF file Formula: - C50 H32 Cl6 O3 -
Comments: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls. Organic & biomolecular chemistry 3(16) (2005) 3024-3031
Space group: P -1
Cell volume: 2088.7
Cell parameters: 11.219; 12.48; 16.557; 86.02; 89.83; 64.63;  

COD ID: 7150220
CIF file Formula: - C49.5 H30 Cl15 O2 Sb2 -
Comments: Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls. Organic & biomolecular chemistry 3(16) (2005) 3024-3031
Space group: F d d 2
Cell volume: 21503
Cell parameters: 57.17; 35.88; 10.483; 90; 90; 90;  

COD ID: 7150234
CIF file Formula: - C14 H30 Cl4 N4 O1.5 -
Comments: Ilioudis, Christos A.; Steed, Jonathan W. Polyaza metacyclophanes as ditopic anion receptors. Organic & biomolecular chemistry 3(16) (2005) 2935-2945
Space group: C 1 2/c 1
Cell volume: 4151.3
Cell parameters: 29.725; 6.348; 22.054; 90; 93.999; 90;  

COD ID: 7150249
CIF file Formula: - C41 H43 Cl N4 O8.5 -
Comments: Danila, Crenguta; Böhmer, Volker; Bolte, Michael Conformational properties of cyanomethoxy calix[4]arenes. Organic & biomolecular chemistry 3(19) (2005) 3508-3513
Space group: P -1
Cell volume: 3990.1
Cell parameters: 11.4637; 18.3534; 19.8397; 74.256; 85.809; 83.824;  

COD ID: 7150253
CIF file Formula: - C52 H58 -
Comments: Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding. Organic & biomolecular chemistry 3(17) (2005) 3213-3219
Space group: C 1 2/c 1
Cell volume: 4059.57
Cell parameters: 26.1849; 15.839; 10.076; 90; 103.728; 90;  

COD ID: 7150262
CIF file Formula: - C27 H33 Cl O9 Si -
Comments: Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J. A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis. Organic & biomolecular chemistry 3(20) (2005) 3654-3677
Space group: P 61
Cell volume: 4489.6
Cell parameters: 14.153; 14.153; 25.881; 90; 90; 120;  

COD ID: 7150263
CIF file Formula: - C35 H44 O10 Si -
Comments: Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J. A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis. Organic & biomolecular chemistry 3(20) (2005) 3654-3677
Space group: P 21 21 21
Cell volume: 3586.1
Cell parameters: 14.792; 28.3; 8.5666; 90; 90; 90;  

COD ID: 7150269
CIF file Formula: - C12 H14 O5 -
Comments: Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E. A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin. Organic & biomolecular chemistry 3(19) (2005) 3488-3495
Space group: C 1 2/c 1
Cell volume: 2363.5
Cell parameters: 29.189; 4.9244; 19.8157; 90; 123.921; 90;  

COD ID: 7150270
CIF file Formula: - C23 H32 O2 -
Comments: Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E. A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin. Organic & biomolecular chemistry 3(19) (2005) 3488-3495
Space group: P 1 21/c 1
Cell volume: 3964.72
Cell parameters: 19.4765; 9.6966; 21.0587; 90; 94.5151; 90;  

COD ID: 7150271
CIF file Formula: - C14 H18 O3 -
Comments: Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E. A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin. Organic & biomolecular chemistry 3(19) (2005) 3488-3495
Space group: P 1 21/n 1
Cell volume: 1221.6
Cell parameters: 8.8435; 13.404; 10.6982; 90; 105.571; 90;  

COD ID: 7150278
CIF file Formula: - C20 H24 O S -
Comments: Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J. The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane. Organic & biomolecular chemistry 3(21) (2005) 3873-3876
Space group: P 21 21 21
Cell volume: 1694.14
Cell parameters: 9.932; 11.5642; 14.7502; 90; 90; 90;  

COD ID: 7150279
CIF file Formula: - C20 H24 O S -
Comments: Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J. The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane. Organic & biomolecular chemistry 3(21) (2005) 3873-3876
Space group: P 21 21 21
Cell volume: 1721.28
Cell parameters: 9.9622; 11.5421; 14.9696; 90; 90; 90;  

COD ID: 7150282
CIF file Formula: - C17 H16 N4 -
Comments: Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D. Tetrakis(imidazolium) macrocyclic receptors for anion binding. Organic & biomolecular chemistry 3(23) (2005) 4201-4208
Space group: P b c n
Cell volume: 2757.4
Cell parameters: 25.1991; 8.6736; 12.6158; 90; 90; 90;  

COD ID: 7150283
CIF file Formula: - C46 H54 F24 N10 P4 -
Comments: Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D. Tetrakis(imidazolium) macrocyclic receptors for anion binding. Organic & biomolecular chemistry 3(23) (2005) 4201-4208
Space group: P -1
Cell volume: 1385.83
Cell parameters: 9.6741; 12.6292; 13.1081; 65.7093; 71.7542; 83.9297;  

COD ID: 7150295
CIF file Formula: - C21.5 H28 Cl N O9 -
Comments: Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D. Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives. Organic & biomolecular chemistry 3(22) (2005) 4095-4107
Space group: P -1
Cell volume: 1150.02
Cell parameters: 6.8253; 12.1456; 15.2031; 113.501; 93.419; 92.824;  

COD ID: 7150305
CIF file Formula: - C17 H27.5 Br O6.25 -
Comments: Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D. Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives. Organic & biomolecular chemistry 3(22) (2005) 4095-4107
Space group: P 1 21 1
Cell volume: 966.55
Cell parameters: 10.4635; 9.3926; 10.5987; 90; 111.888; 90;  

COD ID: 7150308
CIF file Formula: - C33 H29 N O2 -
Comments: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry 3(23) (2005) 4246-4251
Space group: C 1 c 1
Cell volume: 2654.34
Cell parameters: 15.3223; 12.7909; 14.0095; 90; 104.82; 90;  

COD ID: 7150309
CIF file Formula: - C32 H27 N O2 -
Comments: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry 3(23) (2005) 4246-4251
Space group: P 1 21/n 1
Cell volume: 2382.35
Cell parameters: 9.6597; 14.5094; 17.0652; 90; 95.093; 90;  

COD ID: 7150310
CIF file Formula: - C46 H37 N O3 -
Comments: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry 3(23) (2005) 4246-4251
Space group: P 1 21/c 1
Cell volume: 3500.29
Cell parameters: 11.608; 17.2569; 17.9855; 90; 103.702; 90;  

COD ID: 7150311
CIF file Formula: - C32 H27 N O2 -
Comments: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry 3(23) (2005) 4246-4251
Space group: P 1 21/c 1
Cell volume: 2458.83
Cell parameters: 17.7513; 5.9105; 23.5922; 90; 96.6068; 90;  

COD ID: 7150312
CIF file Formula: - C36 H27 N O2 -
Comments: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry 3(23) (2005) 4246-4251
Space group: P 1 21/a 1
Cell volume: 2611.97
Cell parameters: 22.3209; 5.822; 22.4854; 90; 116.634; 90;  

COD ID: 7150324
CIF file Formula: - C29 H26 N4 O5 -
Comments: Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity. Organic & biomolecular chemistry 2(4) (2004) 625-635
Space group: P 1 21/c 1
Cell volume: 2581.5
Cell parameters: 17.709; 7.553; 19.656; 90; 100.926; 90;  

COD ID: 7150325
CIF file Formula: - C15 H11 Br N2 O4 -
Comments: Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity. Organic & biomolecular chemistry 2(4) (2004) 625-635
Space group: P 1 21/n 1
Cell volume: 2958
Cell parameters: 7.357; 9.914; 40.665; 90; 94.22; 90;  

COD ID: 7150334
CIF file Formula: - C9 H15 O2.5 S -
Comments: Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W. Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes. Organic & biomolecular chemistry 2(2) (2004) 151-153
Space group: P -1
Cell volume: 975.68
Cell parameters: 7.1304; 10.9979; 13.4699; 109.079; 92.054; 100.681;  

COD ID: 7150377
CIF file Formula: - C13 H17 N3 O -
Comments: Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors. Organic & biomolecular chemistry 2(8) (2004) 1258-1265
Space group: P 1 21/n 1
Cell volume: 2519.4
Cell parameters: 12.61; 12.464; 16.763; 90; 107.01; 90;  

COD ID: 7150378
CIF file Formula: - C16 H33 N O5 Si -
Comments: Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors. Organic & biomolecular chemistry 2(10) (2004) 1492-1499
Space group: P 1 21 1
Cell volume: 1027
Cell parameters: 7.575; 13.478; 10.641; 90; 109.04; 90;  

COD ID: 7150379
CIF file Formula: - C32 H38.6 N2 O10.3 -
Comments: Pasini, Dario; Righetti, Pier Paolo; Zema, Michele C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation. Organic & biomolecular chemistry 2(12) (2004) 1764-1769
Space group: P -1
Cell volume: 1585
Cell parameters: 11.431; 14.985; 10.19; 92.1; 104.7; 70.09;  

COD ID: 7150403
CIF file Formula: - C33 H45 N3 O2 -
Comments: Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides. Organic & biomolecular chemistry 4(3) (2006) 455-461
Space group: P 1 21/n 1
Cell volume: 2974.6
Cell parameters: 7.626; 20.455; 19.1; 90; 93.27; 90;  

COD ID: 7150413
CIF file Formula: - C48 H60 Br3 N6 O4.5 -
Comments: Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W. Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction. Organic & biomolecular chemistry 4(5) (2006) 781-786
Space group: P -1
Cell volume: 2527.14
Cell parameters: 10.6106; 12.4052; 20.5253; 82.503; 78.979; 72.937;  

COD ID: 7150424
CIF file Formula: - C22 H28 N4 O Si -
Comments: Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean Facial selectivity in the 4 + 2 reactions of a diene derived from carvone Organic & Biomolecular Chemistry 4(6) (2006) 1160
Space group: P 21 21 21
Cell volume: 2253
Cell parameters: 7.4112; 15.3453; 19.811; 90; 90; 90;  

COD ID: 7150425
CIF file Formula: - C22 H28 N4 O Si -
Comments: Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean Facial selectivity in the 4 + 2 reactions of a diene derived from carvone Organic & Biomolecular Chemistry 4(6) (2006) 1160
Space group: P 21 21 21
Cell volume: 2328.1
Cell parameters: 17.488; 17.514; 7.601; 90; 90; 90;  

COD ID: 7150426
CIF file Formula: - C24 H33 N3 O3 Si -
Comments: Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean Facial selectivity in the 4 + 2 reactions of a diene derived from carvone Organic & Biomolecular Chemistry 4(6) (2006) 1160
Space group: P 1 21 1
Cell volume: 1252.2
Cell parameters: 8.087; 11.369; 14.0678; 90; 104.498; 90;  

COD ID: 7150430
CIF file Formula: - C9 H13 N O3 -
Comments: Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu The ammonia-free partial reduction of substituted pyridinium salts. Organic & biomolecular chemistry 4(6) (2006) 1071-1084
Space group: P 1 21/n 1
Cell volume: 906.17
Cell parameters: 7.1187; 12.4355; 10.625; 90; 105.545; 90;  

COD ID: 7150431
CIF file Formula: - C19 H23 N O4 -
Comments: Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu The ammonia-free partial reduction of substituted pyridinium salts. Organic & biomolecular chemistry 4(6) (2006) 1071-1084
Space group: P 1 21/c 1
Cell volume: 1650.16
Cell parameters: 8.0683; 10.3413; 20.1216; 90; 100.613; 90;  

COD ID: 7150432
CIF file Formula: - C23 H25 F N2 O3 -
Comments: Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D. Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I. Organic & biomolecular chemistry 4(9) (2006) 1768-1784
Space group: P 21 21 21
Cell volume: 2013.6
Cell parameters: 12.174; 21.549; 7.6755; 90; 90; 90;  

COD ID: 7150433
CIF file Formula: - C19 H18 N2 O3 -
Comments: Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D. Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I. Organic & biomolecular chemistry 4(9) (2006) 1768-1784
Space group: P 1 21 1
Cell volume: 795.3
Cell parameters: 7.884; 5.6159; 17.964; 90; 90.753; 90;  

COD ID: 7150434
CIF file Formula: - C11 H15 N O5 -
Comments: Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors. Organic & biomolecular chemistry 4(9) (2006) 1653-1662
Space group: P 21 21 21
Cell volume: 1146.61
Cell parameters: 6.0153; 12.4888; 15.2629; 90; 90; 90;  

COD ID: 7150435
CIF file Formula: - C39 H68 N O13.5 -
Comments: Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A. Organic & biomolecular chemistry 4(6) (2006) 1014-1019
Space group: C 1 2 1
Cell volume: 4090.4
Cell parameters: 28.764; 12.3834; 11.8736; 90; 104.728; 90;  

COD ID: 7150444
CIF file Formula: - C24 H38 N2 O3 S Si2 -
Comments: Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether. Organic & biomolecular chemistry 4(7) (2006) 1206-1208
Space group: P 1
Cell volume: 4466.96
Cell parameters: 11.2537; 13.9426; 28.9064; 83.0511; 88.3274; 82.8675;  

COD ID: 7150445
CIF file Formula: - C18 H15 Cl F2 O3 S -
Comments: Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol. Organic & biomolecular chemistry 4(9) (2006) 1806-1810
Space group: P c a 21
Cell volume: 1755
Cell parameters: 15.45; 10.49; 10.828; 90; 90; 90;  

COD ID: 7150460
CIF file Formula: - C20 H22 N2 O2 -
Comments: Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal Total synthesis of (±)-rhazinal, an alkaloidal spindle toxin from Kopsia teoi Organic & Biomolecular Chemistry 1(2) (2003) 296
Space group: P 1 21/n 1
Cell volume: 1611.48
Cell parameters: 11.1081; 12.6796; 11.6659; 90; 101.259; 90;  

COD ID: 7150508
CIF file Formula: - C22 H12 Br N O -
Comments: Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene Organic & Biomolecular Chemistry 1(10) (2003) 1730
Space group: C 1 2/c 1
Cell volume: 3339.5
Cell parameters: 16.772; 7.698; 25.944; 90; 94.46; 90;  

COD ID: 7150516
CIF file Formula: - C17 H23 N O2 S -
Comments: O'Mahony, Donogh J. R.; Belanger, David B.; Livinghouse, Tom Substrate control of stereoselection in the rhodium(i) catalyzed intramolecular [4 + 2] cycloaddition reactionElectronic supplementary information (ESI) available: experimental procedures and spectroscopic data for compounds 4a?d and 6a?c. See http://www.rsc.org/suppdata/ob/b3/b302426c/ Organic & Biomolecular Chemistry 1(12) (2003) 2038
Space group: C 1 2/c 1
Cell volume: 3374.6
Cell parameters: 26.112; 9.913; 16.461; 90; 127.628; 90;  

COD ID: 7150517
CIF file Formula: - C19 H36 Cl5 N3 O5 Os -
Comments: Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J. Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides Organic & Biomolecular Chemistry 1(12) (2003) 2173
Space group: P -1
Cell volume: 1431.5
Cell parameters: 11.595; 12.862; 11.561; 101.31; 119.63; 73.15;  

COD ID: 7150530
CIF file Formula: - C14 H22 O3 -
Comments: Zhang, Xue-jing; Yan, Ming; Huang, Dan Catalyzed addition of diazoacetoacetates to imines: synthesis of highly functionalized aziridines Organic & Biomolecular Chemistry 7(1) (2009) 187-192
Space group: P 21 21 21
Cell volume: 1414.2
Cell parameters: 5.797; 12.152; 20.075; 90; 90; 90;  

COD ID: 7150536
CIF file Formula: - C34 H35 Fe N O6 -
Comments: Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E. Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid Organic & Biomolecular Chemistry 7(3) (2009) 527-536
Space group: P 1 21 1
Cell volume: 1468.41
Cell parameters: 11.422; 8.778999; 15.357; 90; 107.527; 90;  

COD ID: 7150544
CIF file Formula: - C15 H20 O5 S -
Comments: Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W. Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula Organic & Biomolecular Chemistry 7(2) (2009) 238-252
Space group: P 1 21 1
Cell volume: 1497.4
Cell parameters: 5.5615; 27.699; 10.094; 90; 105.644; 90;  

COD ID: 7150545
CIF file Formula: - C15 H20 O5 S -
Comments: Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W. Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula Organic & Biomolecular Chemistry 7(2) (2009) 238-252
Space group: P 1 21 1
Cell volume: 1497.4
Cell parameters: 5.5615; 27.699; 10.094; 90; 105.644; 90;  

COD ID: 7150564
CIF file Formula: - C26 H24 N2 O2 -
Comments: Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu Direct electrochemical α-cyanation of N-protected cyclic amines Organic & Biomolecular Chemistry 7(2) (2009) 351-356
Space group: P 21 21 21
Cell volume: 2437.1
Cell parameters: 9.0438; 14.174; 19.0124; 90; 90; 90;  

COD ID: 7150569
CIF file Formula: - C45 H91.249 O43.6245 -
Comments: Osaki, Motofumi; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira Switching of polymerization activity of cinnamoyl-α-cyclodextrin Organic & Biomolecular Chemistry 7(8) (2009) 1646-1651
Space group: P 21 21 21
Cell volume: 12162.3
Cell parameters: 15.5665; 23.5385; 33.1929; 90; 90; 90;  

COD ID: 7150570
CIF file Formula: - C29 H39 N O4 -
Comments: Davies, Stephen G.; Durbin, Matthew J.; Goddard, Euan C.; Kelly, Peter M.; Kurosawa, Wataru; Lee, James A.; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Scott, Philip M.; Smith, Andrew D. Doubly diastereoselective conjugate addition of homochiral lithium amides to homochiral α,β-unsaturated esters containing cis- and trans-dioxolane units Organic & Biomolecular Chemistry 7(4) (2009) 761-776
Space group: P 21 21 21
Cell volume: 2754.92
Cell parameters: 11.5712; 13.9737; 17.038; 90; 90; 90;  

COD ID: 7150571
CIF file Formula: - C16.8 H19.2 N4 O4.8 -
Comments: Gibson, Colin L.; Huggan, Judith K.; Kennedy, Alan; Kiefer, Lionel; Lee, Jeong Hwan; Suckling, Colin J.; Clements, Carol; Harvey, Alan L.; Hunter, William N.; Tulloch, Lindsay B. Diversity oriented syntheses of fused pyrimidines designed as potential antifolates Organic & Biomolecular Chemistry 7(9) (2009) 1829-1842
Space group: P -1
Cell volume: 858.56
Cell parameters: 7.1471; 10.1809; 12.3149; 81.282; 77.534; 81.436;  

COD ID: 7150575
CIF file Formula: - C16 H24 Br N O -
Comments: Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines Organic & Biomolecular Chemistry 7(5) (2009) 986-995
Space group: C 1 2/c 1
Cell volume: 3169.2
Cell parameters: 29.078; 4.8656; 22.535; 90; 96.268; 90;  

COD ID: 7150576
CIF file Formula: - C15 H21 Br Cl N -
Comments: Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines Organic & Biomolecular Chemistry 7(5) (2009) 986-995
Space group: C 1 2/c 1
Cell volume: 2941.1
Cell parameters: 26.387; 6.8937; 19.161; 90; 122.455; 90;  

COD ID: 7150580
CIF file Formula: - C17 H24 Cl N -
Comments: Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines Organic & Biomolecular Chemistry 7(5) (2009) 986-995
Space group: C 1 2 1
Cell volume: 1587.7
Cell parameters: 16.115; 10.4898; 10.9685; 90; 121.095; 90;  

COD ID: 7150602
CIF file Formula: - C26.25 H16.5 Cl0.5 N2 O2 -
Comments: Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives Organic & Biomolecular Chemistry 7(10) (2009) 2082-2092
Space group: P 1 n 1
Cell volume: 4012.95
Cell parameters: 7.4781; 22.6399; 23.883; 90; 97.0449; 90;  

COD ID: 7150615
CIF file Formula: - C20 H23 N3 -
Comments: Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives Organic & Biomolecular Chemistry 7(7) (2009) 1312-1322
Space group: P 1 21/c 1
Cell volume: 1757.02
Cell parameters: 10.0678; 15.9325; 11.7652; 90; 111.406; 90;  

COD ID: 7150616
CIF file Formula: - C20 H16 Br N3 -
Comments: Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives Organic & Biomolecular Chemistry 7(7) (2009) 1312-1322
Space group: P 1 21/c 1
Cell volume: 1809.03
Cell parameters: 9.4778; 7.942; 24.0757; 90; 93.4125; 90;  

COD ID: 7150617
CIF file Formula: - C21 H19 N3 O -
Comments: Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives Organic & Biomolecular Chemistry 7(7) (2009) 1312-1322
Space group: P -1
Cell volume: 1761.71
Cell parameters: 7.8176; 15.0473; 16.0532; 104.702; 90.581; 104.638;  

COD ID: 7150621
CIF file Formula: - C30 H36.5 Cl N3 O0.25 Pd -
Comments: Peh, Guang-Rong; Kantchev, Eric Assen B.; Zhang, Chi; Ying, Jackie Y. N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck‒Mizoroki reaction Organic & Biomolecular Chemistry 7(10) (2009) 2110-2119
Space group: P -1
Cell volume: 2790.2
Cell parameters: 13.5773; 13.5923; 15.9863; 87.224; 71.872; 84.466;  

COD ID: 7150626
CIF file Formula: - C18 H21 Cl2 N3 O Zn -
Comments: Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J. The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes Organic & Biomolecular Chemistry 7(8) (2009) 1723-1734
Space group: P 21 21 21
Cell volume: 1980.04
Cell parameters: 10.4417; 11.1428; 17.018; 90; 90; 90;  

COD ID: 7150634
CIF file Formula: - C25 H21.9 Br1.1 N O4 S -
Comments: Ayats, Carles; Soley, Roger; Albericio, Fernando; Álvarez, Mercedes Synthesis of the pyrrolo[2,3-c]carbazole core of the dictyodendrins Organic & Biomolecular Chemistry 7(5) (2009) 860-862
Space group: P 1 21/n 1
Cell volume: 2389
Cell parameters: 11.18; 17.516; 13.175; 90; 112.18; 90;  

COD ID: 7150635
CIF file Formula: - C26 H24 N O5.5 S -
Comments: Lorpitthaya, Rujee; Sophy, K. B.; Kuo, Jer-Lai; Liu, Xue-Wei Highly stereoselective synthesis of aminoglycosides via rhodium-catalyzed and substrate-controlled aziridination of glycals Organic & Biomolecular Chemistry 7(7) (2009) 1284-1287
Space group: C 1 2 1
Cell volume: 2479.22
Cell parameters: 28.5943; 9.1264; 9.5011; 90; 90.748; 90;  

COD ID: 7150639
CIF file Formula: - C25 H26 B N3 O2 -
Comments: Klečka, Martin; Pohl, Radek; Klepetářová, Blanka; Hocek, Michal Direct C‒H borylation and C‒H arylation of pyrrolo[2,3-d]pyrimidines: synthesis of 6,8-disubstituted 7-deazapurines Organic & Biomolecular Chemistry 7(5) (2009) 866-868
Space group: P -1
Cell volume: 2252.52
Cell parameters: 12.0486; 12.5522; 15.703; 98.5162; 97.4398; 103.293;  

COD ID: 7150644
CIF file Formula: - C66 H52 Cl4 Cu2 N4 P2 -
Comments: Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J. Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters Organic & Biomolecular Chemistry 7(12) (2009) 2520-2524
Space group: P -1
Cell volume: 1514
Cell parameters: 10.7093; 12.0684; 13.4541; 114.885; 100.794; 96.372;  

COD ID: 7150645
CIF file Formula: - C47 H42 Cl F6 N3 P2 Pd -
Comments: Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J. Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters Organic & Biomolecular Chemistry 7(12) (2009) 2520-2524
Space group: P 1 21 1
Cell volume: 4266.8
Cell parameters: 9.8195; 29.059; 15.0113; 90; 95.039; 90;  

COD ID: 7150647
CIF file Formula: - C46.2 H51.2 Cl3.6 N6 -
Comments: Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups Organic & Biomolecular Chemistry 7(13) (2009) 2704-2715
Space group: P -4 21 c
Cell volume: 23248
Cell parameters: 30.277; 30.277; 25.361; 90; 90; 90;  

COD ID: 7150660
CIF file Formula: - C17 H23 N O -
Comments: Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements Organic & Biomolecular Chemistry 7(12) (2009) 2604-2611
Space group: P 1 21 1
Cell volume: 790.5
Cell parameters: 12.3683; 4.9903; 12.8281; 90; 93.207; 90;  

COD ID: 7150661
CIF file Formula: - C30 H35 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements Organic & Biomolecular Chemistry 7(12) (2009) 2604-2611
Space group: P 1 21 1
Cell volume: 1293.82
Cell parameters: 4.8727; 10.8284; 24.6333; 90; 95.4698; 90;  

COD ID: 7150662
CIF file Formula: - C29 H32.33 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements Organic & Biomolecular Chemistry 7(12) (2009) 2604-2611
Space group: P 21 21 21
Cell volume: 2426.25
Cell parameters: 8.9487; 5.1851; 52.29; 90; 90; 90;  

COD ID: 7150664
CIF file Formula: - C66 H60.8 N32 O20.4 -
Comments: Wang, Ruibing; Bardelang, David; Waite, Mélanie; Udachin, Konstantin A.; Leek, Donald M.; Yu, Kui; Ratcliffe, Christopher I.; Ripmeester, John A. Inclusion complexes of coumarin in cucurbiturils Organic & Biomolecular Chemistry 7(11) (2009) 2435-2439
Space group: I 41/a :2
Cell volume: 17587.1
Cell parameters: 28.3633; 28.3633; 21.8616; 90; 90; 90;  

COD ID: 7150665
CIF file Formula: - C134 H144 Cl7 N16 O22 -
Comments: Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs Organic & Biomolecular Chemistry 7(12) (2009) 2534-2539
Space group: P -1
Cell volume: 6794
Cell parameters: 15.396; 16.278; 29.093; 99.21; 104.19; 100.3;  

COD ID: 7150666
CIF file Formula: - C133 H132.5 Cl13.5 N16 O20 -
Comments: Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs Organic & Biomolecular Chemistry 7(12) (2009) 2534-2539
Space group: P -1
Cell volume: 3458.6
Cell parameters: 14.041; 15.327; 18.74; 110.78; 102.06; 104.06;  

COD ID: 7150670
CIF file Formula: - C17 H28 Cl N O3 -
Comments: Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio A concise approach to the core structures of pinnaic acid and halichlorine Organic & Biomolecular Chemistry 7(14) (2009) 2981-2990
Space group: P -1
Cell volume: 875.71
Cell parameters: 8.3424; 9.2501; 11.6434; 98.854; 97.19; 94.937;  

COD ID: 7150671
CIF file Formula: - C10 H17 N O2 -
Comments: Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio A concise approach to the core structures of pinnaic acid and halichlorine Organic & Biomolecular Chemistry 7(14) (2009) 2981-2990
Space group: P 1 21/n 1
Cell volume: 942.35
Cell parameters: 8.551; 10.7255; 10.3379; 90; 96.33; 90;  

COD ID: 7150672
CIF file Formula: - C18 H25 N O2 -
Comments: Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio A concise approach to the core structures of pinnaic acid and halichlorine Organic & Biomolecular Chemistry 7(14) (2009) 2981-2990
Space group: P 1 21 1
Cell volume: 1543.85
Cell parameters: 7.0336; 20.633; 10.916; 90; 102.955; 90;  

COD ID: 7150673
CIF file Formula: - C18 H27 N O3 -
Comments: Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio A concise approach to the core structures of pinnaic acid and halichlorine Organic & Biomolecular Chemistry 7(14) (2009) 2981-2990
Space group: P -1
Cell volume: 823.76
Cell parameters: 6.2552; 10.5282; 13.4329; 104.454; 101.796; 97.25;  

COD ID: 7150679
CIF file Formula: - C60 H102.5 Cl4 N8 O13.25 -
Comments: Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W. Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor Organic & Biomolecular Chemistry 7(13) (2009) 2756-2760
Space group: P -1
Cell volume: 6957.1
Cell parameters: 17.8228; 18.0014; 25.5431; 77.151; 82.016; 60.606;  

COD ID: 7150691
CIF file Formula: - C66 H52 Cl13 N2 O6 P -
Comments: Bouit, Pierre-Antoine; Aronica, Christophe; Guy, Laure; Martinez, Alexandre; Andraud, Chantal; Maury, Olivier Diastereoselective supramolecular ion-pairing between the TRISPHAT anion and pro-chiral heptamethine cyanine dyes Organic & Biomolecular Chemistry 7(15) (2009) 3086
Space group: P -1
Cell volume: 3267.5
Cell parameters: 13.673; 14.213; 20.031; 73.329; 89.059; 62.217;  

COD ID: 7150694
CIF file Formula: - C27 H35 N O6 -
Comments: Bedford, Robin B.; Haddow, Mairi F.; Webster, Ruth L.; Mitchell, Charlotte J. The catalytic ortho-arylation of tyrosine Organic & Biomolecular Chemistry 7(15) (2009) 3119
Space group: P -1
Cell volume: 1280.1
Cell parameters: 9.9888; 10.6897; 13.5774; 85.729; 68.552; 71.738;  

COD ID: 7150720
CIF file Formula: - C30 H35 F2 N O2 -
Comments: Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates Organic & Biomolecular Chemistry 7(19) (2009) 3947-3957
Space group: P 1 21/n 1
Cell volume: 2611
Cell parameters: 9.4492; 16.4318; 16.9333; 90; 96.75; 90;  

COD ID: 7150721
CIF file Formula: - C30 H35 F2 N O3 -
Comments: Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates Organic & Biomolecular Chemistry 7(19) (2009) 3947-3957
Space group: P n 21 a
Cell volume: 5542.6
Cell parameters: 15.0801; 18.6531; 19.704; 90; 90; 90;  

COD ID: 7150748
CIF file Formula: - C80 H105 F24 N4 O19.5 P4 S4 -
Comments: Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser Thermodynamic forecasting of mechanically interlocked switches Organic & Biomolecular Chemistry 7(21) (2009) 4391-4405
Space group: P 1 21/c 1
Cell volume: 10091
Cell parameters: 14.216; 54.971; 13.678; 90; 109.254; 90;  

COD ID: 7150750
CIF file Formula: - C46.6 H43.4 F24 N5.8 P4 S4 -
Comments: Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser Thermodynamic forecasting of mechanically interlocked switches Organic & Biomolecular Chemistry 7(21) (2009) 4391-4405
Space group: P 1 21/n 1
Cell volume: 2798.5
Cell parameters: 10.8498; 19.3989; 13.8729; 90; 106.576; 90;  

COD ID: 7150759
CIF file Formula: - C54 H109 N6 O27.5 S3 -
Comments: Mateus, Pedro; Delgado, Rita; Brandão, Paula; Carvalho, Sílvia; Félix, Vítor Selective recognition of tetrahedral dianions by a hexaaza cryptand receptor Organic & Biomolecular Chemistry 7(22) (2009) 4661-4673
Space group: P -1
Cell volume: 3446.1
Cell parameters: 12.549; 15.0384; 19.0959; 99.51; 99.578; 98.598;  

COD ID: 7150774
CIF file Formula: - C22 H20 Cl N O2 -
Comments: Jiang, Huanfeng; Mai, Ronghuan; Cao, Hua; Zhu, Qiuhua; Liu, Xiaohang l-Proline-catalyzed synthesis of highly functionalized multisubstituted 1,4-dihydropyridines Organic & Biomolecular Chemistry 7(23) (2009) 4943-4953
Space group: P b c a
Cell volume: 3766.8
Cell parameters: 17.53; 14.759; 14.559; 90; 90; 90;  

COD ID: 7150788
CIF file Formula: - C51.5 H73.5 Cl4.5 I2 P4 Pt2 -
Comments: Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S. Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons Organic & Biomolecular Chemistry 7(23) (2009) 4881-4885
Space group: P 1 21/n 1
Cell volume: 6131.09
Cell parameters: 20.7278; 14.8192; 22.0662; 90; 115.237; 90;  

COD ID: 7150796
CIF file Formula: - C25 H28 N2 O6 -
Comments: Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities Organic & Biomolecular Chemistry 6(2) (2008) 296-307
Space group: P -1
Cell volume: 2318.12
Cell parameters: 5.07959; 16.8946; 27.9131; 78.308; 89.999; 81.384;  

COD ID: 7150797
CIF file Formula: - C25 H28 N2 O6 -
Comments: Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities Organic & Biomolecular Chemistry 6(2) (2008) 296-307
Space group: C 1 2/c 1
Cell volume: 4637
Cell parameters: 33.4101; 5.07911; 27.9188; 90; 101.832; 90;  

COD ID: 7150798
CIF file Formula: - C24 H37 N O2 -
Comments: Krawczyk, Henryk; Wąsek, Katarzyna; Kędzia, Jacek; Wojciechowski, Jakub; Wolf, Wojciech M. A general stereoselective method for the synthesis of cyclopropanecarboxylates. A new version of the homologous Horner‒Wadsworth‒Emmons reaction Organic & Biomolecular Chemistry 6(2) (2008) 308-318
Space group: P -1
Cell volume: 1102.46
Cell parameters: 10.2817; 10.6027; 11.7395; 64.164; 86.195; 73.578;  

COD ID: 7150800
CIF file Formula: - C23 H25 N3 O3 -
Comments: Korotkikh, Nikolai I.; Cowley, Alan H.; Moore, Jennifer A.; Glinyanaya, Nataliya V.; Panov, Ilia S.; Rayenko, Gennady F.; Pekhtereva, Tatyana M.; Shvaika, Oles P. Reaction of 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-5-ylidenes with a malonic ester Organic & Biomolecular Chemistry 6(1) (2008) 195-199
Space group: C 1 c 1
Cell volume: 2120.4
Cell parameters: 11.961; 19.647; 9.048; 90; 94.251; 90;  

COD ID: 7150813
CIF file Formula: - C14 H17 Cl2 N O -
Comments: Yasukochi, Hiroaki; Atago, Takayuki; Tanaka, Akihiro; Nakatsuji, Hidefumi; Yoshida, Eri; Kakehi, Akikazu; Nishii, Yoshinori; Tanabe, Yoo Practical, general, and systematic method for optical resolution of gem-dihalo- and monohalocyclopropanecarboxylic acids utilizing chiral 1,1′-binaphtholmonomethyl ethers: Application to the synthesis of three chiral pesticides Organic & Biomolecular Chemistry 6(3) (2008) 540-547
Space group: P 1 21 1
Cell volume: 1523
Cell parameters: 9.82; 9.82; 16.09; 90; 101.08; 90;  

COD ID: 7150821
CIF file Formula: - C22 H30 Mg O10 -
Comments: Bernat, Virginie; André, Chantal; André-Barrès, Christiane Weak chemiluminescence emission during base induced rearrangement of G-factors Organic & Biomolecular Chemistry 6(3) (2008) 454-457
Space group: P -1
Cell volume: 587.8
Cell parameters: 8.279; 8.724; 9.245; 97.164; 94.153; 116.289;  

COD ID: 7150824
CIF file Formula: - C22 H28 N2 O5 S -
Comments: Prieto, Oscar; Lam, Hon Wai Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines Organic & Biomolecular Chemistry 6(1) (2008) 55-57
Space group: P 1 21 1
Cell volume: 1079.98
Cell parameters: 7.9098; 16.815; 8.1247; 90; 91.953; 90;  

COD ID: 7150825
CIF file Formula: - C18 H22 N2 O4 S2 -
Comments: Prieto, Oscar; Lam, Hon Wai Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines Organic & Biomolecular Chemistry 6(1) (2008) 55-57
Space group: P -1
Cell volume: 909.57
Cell parameters: 5.9601; 9.7146; 16.6249; 100.634; 100.386; 99.836;  

COD ID: 7150826
CIF file Formula: - C22 H28 N2 O5 S -
Comments: Prieto, Oscar; Lam, Hon Wai Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines Organic & Biomolecular Chemistry 6(1) (2008) 55-57
Space group: P c c n
Cell volume: 4282.2
Cell parameters: 22.1667; 25.5085; 7.5733; 90; 90; 90;  

COD ID: 7150829
CIF file Formula: - C15 H13 Br O4 -
Comments: Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes Organic & Biomolecular Chemistry 6(3) (2008) 513-522
Space group: P -1
Cell volume: 673.62
Cell parameters: 6.7091; 8.077; 13.7233; 103.96; 93.8881; 109.004;  

COD ID: 7150831
CIF file Formula: - C15 H13 Br O4 -
Comments: Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes Organic & Biomolecular Chemistry 6(3) (2008) 513-522
Space group: P 1 21/c 1
Cell volume: 1349.53
Cell parameters: 9.308; 10.106; 14.4185; 90; 95.7272; 90;  

COD ID: 7150832
CIF file Formula: - C18 H22 O4 Si -
Comments: Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes Organic & Biomolecular Chemistry 6(3) (2008) 513-522
Space group: P -1
Cell volume: 869.21
Cell parameters: 9.3794; 9.9026; 10.4159; 86.4869; 66.0202; 79.5571;  

COD ID: 7150835
CIF file Formula: - C12 H18 O3 S -
Comments: Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M. Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution Organic & Biomolecular Chemistry 6(7) (2008) 1215-1221
Space group: P 1 21/n 1
Cell volume: 1223.88
Cell parameters: 8.5196; 11.9778; 11.9934; 90; 90.014; 90;  

COD ID: 7150836
CIF file Formula: - C12 H16 O3 S -
Comments: Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M. Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution Organic & Biomolecular Chemistry 6(7) (2008) 1215-1221
Space group: P 1 21/n 1
Cell volume: 1202.93
Cell parameters: 8.8092; 11.8522; 11.5256; 90; 91.543; 90;  

COD ID: 7150837
CIF file Formula: - C12 H18 O2 S -
Comments: Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M. Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution Organic & Biomolecular Chemistry 6(7) (2008) 1215-1221
Space group: P 1 21/n 1
Cell volume: 1193.09
Cell parameters: 8.445; 12.0343; 11.7417; 90; 91.0936; 90;  

COD ID: 7150841
CIF file Formula: - C30 H45 N O4 -
Comments: Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid Organic & Biomolecular Chemistry 6(3) (2008) 458-463
Space group: P 1 21 1
Cell volume: 1393.8
Cell parameters: 12.595; 6.1165; 18.862; 90; 106.42; 90;  

COD ID: 7150842
CIF file Formula: - C28 H39 N O3 -
Comments: Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid Organic & Biomolecular Chemistry 6(3) (2008) 458-463
Space group: P 1 21 1
Cell volume: 1213.5
Cell parameters: 10.981; 6.1913; 17.85; 90; 90.37; 90;  

COD ID: 7150843
CIF file Formula: - C48 H67 N O5 -
Comments: Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid Organic & Biomolecular Chemistry 6(3) (2008) 458-463
Space group: P 21 21 21
Cell volume: 4217.9
Cell parameters: 6.3023; 19.07; 35.095; 90; 90; 90;  

COD ID: 7150862
CIF file Formula: - C19 H25 B F2 N2 O2 -
Comments: Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors Organic & Biomolecular Chemistry 6(3) (2008) 433-436
Space group: P 1 c 1
Cell volume: 910.2
Cell parameters: 8.526; 12.16; 8.797; 90; 93.64; 90;  

COD ID: 7150875
CIF file Formula: - C9 H6 N2 O5 -
Comments: Mahiout, Zahia; Lomberget, Thierry; Goncalves, Sylvie; Barret, Roland Solvent-dependent oxidations of 5- and 6-azaindoles to trioxopyrrolopyridines and functionalised azaindoles Organic & Biomolecular Chemistry 6(8) (2008) 1364-1376
Space group: P -1
Cell volume: 458.412
Cell parameters: 5.35; 8.79; 10.58; 111.47; 94.77; 94.31;  

COD ID: 7150893
CIF file Formula: - C43 H54 Cl3 N6 O4.5 -
Comments: Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions Organic & Biomolecular Chemistry 6(10) (2008) 1751-1755
Space group: P -1
Cell volume: 2116.5
Cell parameters: 12.077; 13.878; 14.279; 108.73; 107.18; 95.52;  

COD ID: 7150909
CIF file Formula: - C20 H23 N5 O -
Comments: Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations Organic & Biomolecular Chemistry 6(13) (2008) 2377-2387
Space group: P n a 21
Cell volume: 1797.72
Cell parameters: 22.2791; 16.203; 4.98; 90; 90; 90;  

COD ID: 7150914
CIF file Formula: - C20 H27 N3 O3 S -
Comments: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones Organic & Biomolecular Chemistry 6(14) (2008) 2574-2586
Space group: P b c a
Cell volume: 4075.4
Cell parameters: 11.778; 16.333; 21.185; 90; 90; 90;  

COD ID: 7150915
CIF file Formula: - C17 H22 N2 O3 -
Comments: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones Organic & Biomolecular Chemistry 6(14) (2008) 2574-2586
Space group: P 43 21 2
Cell volume: 3434.7
Cell parameters: 9.198; 9.198; 40.598; 90; 90; 90;  

COD ID: 7150916
CIF file Formula: - C14 H14 N2 O3 -
Comments: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones Organic & Biomolecular Chemistry 6(14) (2008) 2574-2586
Space group: P 21 21 21
Cell volume: 2616
Cell parameters: 11.014; 13.24; 17.939; 90; 90; 90;  

COD ID: 7150917
CIF file Formula: - C14 H14 N2 O3 -
Comments: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones Organic & Biomolecular Chemistry 6(14) (2008) 2574-2586
Space group: P 21 21 21
Cell volume: 1271.8
Cell parameters: 5.96; 12.835; 16.626; 90; 90; 90;  

COD ID: 7150925
CIF file Formula: - C36.5 H43 F N2 O12.5 -
Comments: Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C. Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans Organic & Biomolecular Chemistry 6(16) (2008) 2868-2883
Space group: P 21 21 21
Cell volume: 3692.7
Cell parameters: 8.7028; 13.9149; 30.493; 90; 90; 90;  

COD ID: 7150933
CIF file Formula: - C16 H19 N O4 -
Comments: Schmidt, Andreas; Michalik, Dirk; Rotzoll, Sven; Ullah, Ehsan; Fischer, Christine; Reinke, Helmut; Görls, Helmar; Langer, Peter Synthesis of azoxabicyclo[3.3.1]nonanones based on diastereoselective reactions of 1,1-bis(trimethylsilyloxy)ketene acetals with isoquinolines and quinolines Organic & Biomolecular Chemistry 6(15) (2008) 2804-2814
Space group: P 1 21/n 1
Cell volume: 1509.17
Cell parameters: 5.1502; 11.2491; 26.05; 90; 90.408; 90;  

COD ID: 7150936
CIF file Formula: - C20 H24 O2 Si -
Comments: Robertson, Jeremy; Green, Stuart P.; Hall, Michael J.; Tyrrell, Andrew J.; Unsworth, William P. Further studies on silatropic carbonyl ene cyclisations: β-crotyl(diphenyl)silyloxy aldehyde substrates; synthesis of 2-deoxy-2-C-phenylhexoses Organic & Biomolecular Chemistry 6(14) (2008) 2628-2635
Space group: P 1 21/n 1
Cell volume: 1832.97
Cell parameters: 8.8918; 15.1623; 13.7021; 90; 97.145; 90;  

COD ID: 7150953
CIF file Formula: - C19 H23 B F2 I2 N2 O2 -
Comments: Maeda, Hiromitsu; Haketa, Yohei Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems Organic & Biomolecular Chemistry 6(17) (2008) 3091-3095
Space group: P 1 21/c 1
Cell volume: 8469
Cell parameters: 16.022; 16.416; 32.819; 90; 101.164; 90;  

COD ID: 7150965
CIF file Formula: - C13 H17 N O2 -
Comments: Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle Organic & Biomolecular Chemistry 6(17) (2008) 3118-3126
Space group: P 1 21/c 1
Cell volume: 1240.8
Cell parameters: 11; 12.348; 9.398; 90; 103.58; 90;  

COD ID: 7150966
CIF file Formula: - C13 H17 N O2 -
Comments: Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle Organic & Biomolecular Chemistry 6(17) (2008) 3118-3126
Space group: P b c a
Cell volume: 2466
Cell parameters: 12.94; 9.252; 20.599; 90; 90; 90;  

COD ID: 7150992
CIF file Formula: - C17.5 H18 Cl6.67 N0.67 O4.67 -
Comments: Aciro, Caroline; Claridge, Timothy D. W.; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E. Ammonium-directed dihydroxylation of 3-aminocyclohex-1-enes: development of a metal-free dihydroxylation protocol Organic & Biomolecular Chemistry 6(20) (2008) 3751-3761
Space group: C 1 2/c 1
Cell volume: 7138.47
Cell parameters: 24.5125; 9.8211; 30.9595; 90; 106.71; 90;  

COD ID: 7150993
CIF file Formula: - C20 H25 N O2 -
Comments: Aciro, Caroline; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Ammonium-directed dihydroxylation: metal-free synthesis of the diastereoisomers of 3-aminocyclohexane-1,2-diol Organic & Biomolecular Chemistry 6(20) (2008) 3762-3770
Space group: P 1 21/a 1
Cell volume: 3473
Cell parameters: 10.8392; 28.0222; 12.2118; 90; 110.557; 90;  

COD ID: 7150994
CIF file Formula: - C16 H19 N O5 S -
Comments: Horino, Yoshikazu; Takata, Yasushi; Hashimoto, Ken; Kuroda, Shigeyasu; Kimura, Masanari; Tamaru, Yoshinao Gold-catalyzed intermolecular addition of alcohols toward the allenic bond of 4-vinylidene-2-oxazolidinones Organic & Biomolecular Chemistry 6(22) (2008) 4105-4107
Space group: P -1
Cell volume: 846
Cell parameters: 7.6397; 10.614; 10.778; 83.827; 80.863; 79.643;  

COD ID: 7151010
CIF file Formula: - C55 H61 F6 N3 O P2 Pd -
Comments: Maxwell, Aoife C.; Franc, Celine; Pouchain, Laurent; Müller-Bunz, Helge; Guiry, Patrick J. Electronically varied quinazolinaps for asymmetric catalysis Organic & Biomolecular Chemistry 6(20) (2008) 3848-3853
Space group: P 21 21 21
Cell volume: 5054.1
Cell parameters: 14.3877; 16.3592; 21.4727; 90; 90; 90;  

COD ID: 7151014
CIF file Formula: - C36 H51 N O4 -
Comments: Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet‒Hauser rearrangements Organic & Biomolecular Chemistry 6(20) (2008) 3673-3680
Space group: P 21 21 21
Cell volume: 3393.48
Cell parameters: 9.2925; 12.9908; 28.111; 90; 90; 90;  

COD ID: 7151019
CIF file Formula: - C15 H17 N O3 -
Comments: Chandan, Nandkishkor; Moloney, Mark G. Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines Organic & Biomolecular Chemistry 6(20) (2008) 3664-3666
Space group: P 1 21/n 1
Cell volume: 1328.43
Cell parameters: 7.8768; 11.7807; 14.3679; 90; 94.8778; 90;  

COD ID: 7151020
CIF file Formula: - C9 H13 N O3 -
Comments: Chandan, Nandkishkor; Moloney, Mark G. Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines Organic & Biomolecular Chemistry 6(20) (2008) 3664-3666
Space group: P 1 21/n 1
Cell volume: 936.06
Cell parameters: 6.9787; 14.2583; 9.8765; 90; 107.733; 90;  

COD ID: 7151021
CIF file Formula: - C8 H11 N O3 -
Comments: Chandan, Nandkishkor; Moloney, Mark G. Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines Organic & Biomolecular Chemistry 6(20) (2008) 3664-3666
Space group: P 1 21/c 1
Cell volume: 864
Cell parameters: 6.5272; 12.559; 10.5571; 90; 93.26; 90;  

COD ID: 7151031
CIF file Formula: - C37 H41 N O6 S -
Comments: Shibata, Takanori; Otomo, Mayumi; Tahara, Yu-ki; Endo, Kohei Highly diastereo- and enantioselective construction of both central and axial chiralities by Rh-catalyzed [2 + 2 + 2] cycloaddition Organic & Biomolecular Chemistry 6(23) (2008) 4296-4298
Space group: P 1 21 1
Cell volume: 1766.14
Cell parameters: 11.0147; 10.932; 14.7938; 90; 97.4949; 90;  

COD ID: 7151037
CIF file Formula: - C6 H13 N O4 -
Comments: Donohoe, Timothy J.; Cheeseman, Matthew D.; O'Riordan, Timothy J. C.; Kershaw, Jessica A. Synthesis of (+)-DGDP and (−)-7-epialexine Organic & Biomolecular Chemistry 6(21) (2008) 3896-3898
Space group: P 21 21 21
Cell volume: 748.58
Cell parameters: 5.9247; 7.2417; 17.4475; 90; 90; 90;  

COD ID: 7151041
CIF file Formula: - C10 H16 O5 -
Comments: Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter Spiroketals via oxidative rearrangement of enol ethers. Organic & biomolecular chemistry 5(1) (2007) 58-60
Space group: P 1 21/c 1
Cell volume: 1089.5
Cell parameters: 8.849; 15.512; 8.0902; 90; 101.154; 90;  

COD ID: 7151049
CIF file Formula: - C21 H15 Cl2 N O5 -
Comments: Ando, Kumiko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Nakajima, Hidemitsu; Takeuchi, Tadayoshi; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka Synthesis and biological activities of novel furo[2,3,4-jk][2]benzazepin-4(3H)-one derivatives. Organic & biomolecular chemistry 5(4) (2007) 655-663
Space group: P 1 21/n 1
Cell volume: 1848.7
Cell parameters: 8.6316; 14.8772; 14.4589; 90; 95.3308; 90;  

COD ID: 7151057
CIF file Formula: - C15 H33 N3 Si2 -
Comments: Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes. Organic & biomolecular chemistry 5(3) (2007) 523-530
Space group: P 1 21/n 1
Cell volume: 2025.4
Cell parameters: 11.259; 9.8467; 18.752; 90; 103.035; 90;  

COD ID: 7151058
CIF file Formula: - C69 H100 N22 O6 -
Comments: Kondo, Shin-Ichi; Hayashi, Tomohiro; Sakuno, Yuichi; Takezawa, Yoko; Yokoyama, Takashi; Unno, Masafumi; Yano, Yumihiko Synthesis of cyclic bis- and trismelamine derivatives and their complexation properties with barbiturates. Organic & biomolecular chemistry 5(6) (2007) 907-916
Space group: P -1
Cell volume: 3692.2
Cell parameters: 14.995; 15.949; 17.6433; 68.348; 71.33; 88.86;  

COD ID: 7151059
CIF file Formula: - C16 H24 O3 -
Comments: Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones. Organic & biomolecular chemistry 5(2) (2007) 286-300
Space group: P -1
Cell volume: 763.64
Cell parameters: 8.578; 9.477; 9.818; 88.558; 89.264; 73.154;  

COD ID: 7151060
CIF file Formula: - C17 H26 O3 -
Comments: Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones. Organic & biomolecular chemistry 5(2) (2007) 286-300
Space group: P 1 21/a 1
Cell volume: 1655.76
Cell parameters: 12.301; 11.053; 13.202; 90; 112.715; 90;  

COD ID: 7151061
CIF file Formula: - C19 H28 O6 -
Comments: Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones. Organic & biomolecular chemistry 5(2) (2007) 286-300
Space group: P -1
Cell volume: 1920.77
Cell parameters: 9.893; 11.174; 19.187; 85.225; 77.416; 68.107;  

COD ID: 7151067
CIF file Formula: - C9 H12 N2 O2 S Se -
Comments: Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole. Organic & biomolecular chemistry 5(4) (2007) 613-616
Space group: P 1 21/c 1
Cell volume: 1124.3
Cell parameters: 7.6506; 18.5206; 8.4687; 90; 110.451; 90;  

COD ID: 7151068
CIF file Formula: - C9 H12 N2 O2 S2 -
Comments: Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole. Organic & biomolecular chemistry 5(4) (2007) 613-616
Space group: P 1 21/c 1
Cell volume: 1111.74
Cell parameters: 7.6627; 18.4638; 8.3775; 90; 110.288; 90;  

COD ID: 7151069
CIF file Formula: - C6 H12 N2 S1.97 Se1.03 -
Comments: Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole. Organic & biomolecular chemistry 5(4) (2007) 613-616
Space group: P 1 21/c 1
Cell volume: 1001.69
Cell parameters: 10.1624; 7.4766; 14.124; 90; 111.027; 90;  

COD ID: 7151070
CIF file Formula: - C21.75 H18.5 N3 O4.25 -
Comments: Tu, Shujiang; Zhang, Junyong; Jia, Runhong; Jiang, Bo; Zhang, Yan; Jiang, Hong An efficient route for the synthesis of a new class of pyrido[2,3-d]pyrimidine derivatives. Organic & biomolecular chemistry 5(9) (2007) 1450-1453
Space group: C 1 2/c 1
Cell volume: 4087
Cell parameters: 18.383; 9.9133; 23.371; 90; 106.34; 90;  

COD ID: 7151094
CIF file Formula: - C17 H19 N O S -
Comments: Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R. Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides. Organic & biomolecular chemistry 5(8) (2007) 1228-1241
Space group: P c a 21
Cell volume: 1536.6
Cell parameters: 8.1168; 18.618; 10.168; 90; 90; 90;  

COD ID: 7151100
CIF file Formula: - C38 H43 N O4 -
Comments: Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D. Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones. Organic & biomolecular chemistry 5(9) (2007) 1405-1415
Space group: P 21 21 21
Cell volume: 3194.2
Cell parameters: 11.264; 16.634; 17.048; 90; 90; 90;  

COD ID: 7151102
CIF file Formula: - C94.69 H126.1 N8.65 O13.38 -
Comments: Szumna, Agnieszka Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds. Organic & biomolecular chemistry 5(9) (2007) 1358-1368
Space group: I 4
Cell volume: 4514.6
Cell parameters: 23.3843; 23.3843; 8.2561; 90; 90; 90;  

COD ID: 7151104
CIF file Formula: - C43 H32 Br F5 P2 -
Comments: Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide. Organic & biomolecular chemistry 5(9) (2007) 1442-1449
Space group: P 1 21/n 1
Cell volume: 3750
Cell parameters: 16.463; 18.19; 13.501; 90; 111.93; 90;  

COD ID: 7151105
CIF file Formula: - C24 H16 F5 O P -
Comments: Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide. Organic & biomolecular chemistry 5(9) (2007) 1442-1449
Space group: P b c a
Cell volume: 4123
Cell parameters: 17.266; 17.317; 13.791; 90; 90; 90;  

COD ID: 7151108
CIF file Formula: - C21 H25 Cl3 N7 O4 -
Comments: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain. Organic & biomolecular chemistry 5(10) (2007) 1641-1645
Space group: P 1 21/n 1
Cell volume: 2557
Cell parameters: 8.38; 10.583; 29.23; 90; 99.424; 90;  

COD ID: 7151120
CIF file Formula: - C24 H28 F2 O9 -
Comments: Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy. Organic & biomolecular chemistry 5(15) (2007) 2464-2471
Space group: P b c n
Cell volume: 2357.89
Cell parameters: 13.7696; 8.3551; 20.4951; 90; 90; 90;  

COD ID: 7151121
CIF file Formula: - C12 H15 F O5 -
Comments: Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy. Organic & biomolecular chemistry 5(15) (2007) 2464-2471
Space group: P -1
Cell volume: 1208.1
Cell parameters: 4.7854; 11.316; 22.705; 80.348; 86.525; 86.318;  

COD ID: 7151122
CIF file Formula: - C30 H37 N3 O5 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J. Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates. Organic & biomolecular chemistry 5(13) (2007) 2138-2147
Space group: P 1 21 1
Cell volume: 1423.43
Cell parameters: 9.3443; 9.8498; 15.9297; 90; 103.866; 90;  

COD ID: 7151126
CIF file Formula: - C13 H18 O4 -
Comments: McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F. Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition. Organic & biomolecular chemistry 5(10) (2007) 1522-1524
Space group: P 21 21 21
Cell volume: 1164.86
Cell parameters: 7.2231; 9.3503; 17.2474; 90; 90; 90;  

COD ID: 7151128
CIF file Formula: - C26 H28 N2 O -
Comments: Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Smith, Andrew D.; Rodriguez-Solla, Humberto; Thomson, James E.; Toms, Steven M. Asymmetric synthesis of 3,4-anti- and 3,4-syn-substituted aminopyrrolidines via lithium amide conjugate addition. Organic & biomolecular chemistry 5(12) (2007) 1961-1969
Space group: P 1 21 1
Cell volume: 2202.08
Cell parameters: 9.5595; 17.1047; 13.6097; 90; 98.2945; 90;  

COD ID: 7151129
CIF file Formula: - C12 H24 N3 O3.5 -
Comments: Hosseini, Masood; Grau, Jakob S.; Sørensen, Kasper K; Søtofte, Inger; Tanner, David; Murray, Anthony; Tønder, Janne E Short and efficient diastereoselective synthesis of pyrrolidinone-containing dipeptide analogues. Organic & biomolecular chemistry 5(14) (2007) 2207-2210
Space group: P 42
Cell volume: 1433.48
Cell parameters: 12.9386; 12.9386; 8.5628; 90; 90; 90;  

COD ID: 7151136
CIF file Formula: - C21 H28 O2 -
Comments: Di Chenna, Pablo H.; Veleiro, Adriana S.; Sonego, Juan M.; Ceballos, Nora R.; Garland, M. Teresa; Baggio, Ricardo F.; Burton, Gerardo Synthesis of 6,19-cyclopregnanes. Constrained analogues of steroid hormones. Organic & biomolecular chemistry 5(15) (2007) 2453-2457
Space group: P 1 21 1
Cell volume: 1751.5
Cell parameters: 11.3312; 11.4371; 14.5628; 90; 111.863; 90;  

COD ID: 7151152
CIF file Formula: - C25 H24 O4 -
Comments: Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry 5(16) (2007) 2606
Space group: P 1 21/a 1
Cell volume: 1987.27
Cell parameters: 13.9345; 8.792; 16.3108; 90; 96.0142; 90;  

COD ID: 7151153
CIF file Formula: - C27 H26 O6 -
Comments: Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry 5(16) (2007) 2606
Space group: P b c a
Cell volume: 4560.12
Cell parameters: 15.0402; 15.3235; 19.7863; 90; 90; 90;  

COD ID: 7151154
CIF file Formula: - C25 H24 O4 -
Comments: Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry 5(16) (2007) 2606
Space group: P 1 21 1
Cell volume: 1019.1
Cell parameters: 11.019; 7.6264; 12.1306; 90; 91.3965; 90;  

COD ID: 7151156
CIF file Formula: - C22 H17 Cu N5 O6 -
Comments: Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes Organic & Biomolecular Chemistry 5(16) (2007) 2555
Space group: P 1 21/c 1
Cell volume: 2064.4
Cell parameters: 12.996; 9.9631; 17.8565; 90; 116.763; 90;  

COD ID: 7151158
CIF file Formula: - C20 H24 Cl3 N O5 S -
Comments: Baylis, Alison M.; Davies, Michael P. H.; Thomas, Eric J. Synthetic approaches to the polycyclic alkaloid stemofoline. Organic & biomolecular chemistry 5(19) (2007) 3139-3155
Space group: P 1 21/c 1
Cell volume: 2328.7
Cell parameters: 10.716; 20.066; 10.835; 90; 91.767; 90;  

COD ID: 7151159
CIF file Formula: - C12 H12 Br N O2 S -
Comments: Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S. One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams. Organic & biomolecular chemistry 5(21) (2007) 3472-3476
Space group: P b c n
Cell volume: 2363.49
Cell parameters: 16.5525; 10.1393; 14.0826; 90; 90; 90;  

COD ID: 7151171
CIF file Formula: - C14 H12 Cl N2 O2.5 Se -
Comments: Kuzma, Dusan; Parvez, Masood; Back, Thomas George Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity. Organic & biomolecular chemistry 5(19) (2007) 3213-3217
Space group: P -1
Cell volume: 751.2
Cell parameters: 7.944; 9.7; 11.001; 81.649; 74.131; 67.241;  

COD ID: 7151173
CIF file Formula: - C21 H24 N2 O -
Comments: Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation. Organic & biomolecular chemistry 5(23) (2007) 3834-3841
Space group: P 1 21 1
Cell volume: 856.24
Cell parameters: 12.3636; 5.2242; 13.3704; 90; 97.482; 90;  

COD ID: 7151174
CIF file Formula: - C21 H24 N2 O -
Comments: Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation. Organic & biomolecular chemistry 5(23) (2007) 3834-3841
Space group: P 21 21 21
Cell volume: 1734.4
Cell parameters: 5.3478; 13.519; 23.99; 90; 90; 90;  

COD ID: 7151190
CIF file Formula: - C36 H51 N O3 Si -
Comments: Cailleau, Thaïs; Cooke, Jason W. B.; Davies, Stephen G.; Ling, Kenneth B.; Naylor, Alan; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Asymmetric synthesis of beta-amino-gamma-substituted-gamma-butyrolactones: double diastereoselective conjugate addition of homochiral lithium amides to homochiral alpha,beta-unsaturated esters. Organic & biomolecular chemistry 5(24) (2007) 3922-3931
Space group: P 1
Cell volume: 1722.68
Cell parameters: 11.4449; 11.8; 14.6478; 71.901; 67.6483; 76.207;  

COD ID: 7151191
CIF file Formula: - C27 H28 Br N2 O3 Re -
Comments: Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes. Organic & biomolecular chemistry 5(23) (2007) 3859-3864
Space group: P 1
Cell volume: 1324.2
Cell parameters: 9.593; 10.5494; 13.618; 76.415; 85.266; 81.798;  

COD ID: 7151192
CIF file Formula: - C34 H35 Br N3 O3 Re -
Comments: Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes. Organic & biomolecular chemistry 5(23) (2007) 3859-3864
Space group: P 21 21 21
Cell volume: 3202.7
Cell parameters: 7.893; 14.212; 28.551; 90; 90; 90;  

COD ID: 7151194
CIF file Formula: - C26 H17 N3 O3 -
Comments: Manpadi, Madhuri; Uglinskii, Pavel Y.; Rastogi, Shiva K.; Cotter, Karen M.; Wong, Yin-Shan C; Anderson, Lisa A.; Ortega, Amber J.; Van Slambrouck, Severine; Steelant, Wim F. A.; Rogelj, Snezna; Tongwa, Paul; Antipin, Mikhail Yu; Magedov, Igor V.; Kornienko, Alexander Three-component synthesis and anticancer evaluation of polycyclic indenopyridines lead to the discovery of a novel indenoheterocycle with potent apoptosis inducing properties. Organic & biomolecular chemistry 5(23) (2007) 3865-3872
Space group: P b c a
Cell volume: 4099.3
Cell parameters: 11.3871; 18.131; 19.855; 90; 90; 90;  

COD ID: 7151040
CIF file Formula: - C9 H12 O5 -
Comments: Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter Spiroketals via oxidative rearrangement of enol ethers. Organic & biomolecular chemistry 5(1) (2007) 58-60
Space group: C 1 2/c 1
Cell volume: 1874
Cell parameters: 25.345; 6.038; 12.627; 90; 104.129; 90;  

COD ID: 7151231
CIF file Formula: - C10 H11 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E. Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions. Organic & biomolecular chemistry 4(14) (2006) 2753-2768
Space group: P 21 21 21
Cell volume: 870.93
Cell parameters: 5.9454; 8.1078; 18.0676; 90; 90; 90;  

COD ID: 7151232
CIF file Formula: - C12 H15 N O2 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E. Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions. Organic & biomolecular chemistry 4(14) (2006) 2753-2768
Space group: P 21 21 21
Cell volume: 4592.18
Cell parameters: 9.2401; 10.581; 46.9695; 90; 90; 90;  

COD ID: 7151233
CIF file Formula: - C19 H27 N O4 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E. Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions. Organic & biomolecular chemistry 4(14) (2006) 2753-2768
Space group: C 1 2 1
Cell volume: 1818.96
Cell parameters: 17.9151; 9.5994; 12.1722; 90; 119.664; 90;  

COD ID: 7151234
CIF file Formula: - C16 H29 N O4 -
Comments: Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E. Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions. Organic & biomolecular chemistry 4(14) (2006) 2753-2768
Space group: P 1
Cell volume: 866.9
Cell parameters: 8.8735; 9.7635; 11.248; 89.749; 79.982; 64.9723;  

COD ID: 7151235
CIF file Formula: - C33 H37 N O6 -
Comments: Hussaini, Syed Raziullah; Moloney, Mark G. 2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations. Organic & biomolecular chemistry 4(13) (2006) 2600-2615
Space group: P 1 21 1
Cell volume: 2943.03
Cell parameters: 8.3002; 33.6715; 10.531; 90; 90.6345; 90;  

COD ID: 7151236
CIF file Formula: - C21 H25 N O7 -
Comments: Hussaini, Syed Raziullah; Moloney, Mark G. 2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations. Organic & biomolecular chemistry 4(13) (2006) 2600-2615
Space group: P 1 21 1
Cell volume: 1047.89
Cell parameters: 8.8317; 10.1281; 12.024; 90; 103.017; 90;  

COD ID: 7151237
CIF file Formula: - C16 H18 N2 O7 S -
Comments: Pedras, M Soledade C; Hossain, Mohammad Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation. Organic & biomolecular chemistry 4(13) (2006) 2581-2590
Space group: P 1 21 1
Cell volume: 871.16
Cell parameters: 13.8821; 4.5502; 14.6589; 90; 109.809; 90;  

COD ID: 7151244
CIF file Formula: - C13 H18 O2 S -
Comments: Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu Reaction of thioketones with propiolic acids. Organic & biomolecular chemistry 4(14) (2006) 2745-2752
Space group: P 21 21 21
Cell volume: 1221
Cell parameters: 7.69; 9.26; 17.15; 90; 90; 90;  

COD ID: 7151245
CIF file Formula: - C17 H27 N O3 -
Comments: Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one. Organic & biomolecular chemistry 4(15) (2006) 2945-2964
Space group: P 1 21 1
Cell volume: 854.7
Cell parameters: 6.9391; 8.0963; 15.5077; 90; 101.182; 90;  

COD ID: 7151246
CIF file Formula: - C17 H25 N O3 -
Comments: Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one. Organic & biomolecular chemistry 4(15) (2006) 2945-2964
Space group: P 21 21 21
Cell volume: 1580.35
Cell parameters: 7.2402; 11.8197; 18.467; 90; 90; 90;  

COD ID: 7151247
CIF file Formula: - C17 H23 N O3 -
Comments: Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E. SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one. Organic & biomolecular chemistry 4(15) (2006) 2945-2964
Space group: P 1 21 1
Cell volume: 817.17
Cell parameters: 6.5167; 7.9303; 15.8324; 90; 92.8893; 90;  

COD ID: 7151256
CIF file Formula: - C26 H28 O11 -
Comments: Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls. Organic & biomolecular chemistry 4(14) (2006) 2801-2806
Space group: P b c a
Cell volume: 5109.4
Cell parameters: 7.3722; 25.899; 26.76; 90; 90; 90;  

COD ID: 7151259
CIF file Formula: - C5 H7 Cl2 N5 -
Comments: Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases. Organic & biomolecular chemistry 4(16) (2006) 3056-3066
Space group: P n m a
Cell volume: 815.06
Cell parameters: 13.4485; 6.4673; 9.3711; 90; 90; 90;  

COD ID: 7151268
CIF file Formula: - C36 H46 N3 O3.5 S3 -
Comments: Fox, David J.; Morley, Thomas J.; Warren, Stuart Episulfonium ion-mediated cyclic peptide and triazine synthesis Organic & Biomolecular Chemistry 4(16) (2006) 3120
Space group: P -1
Cell volume: 3636.02
Cell parameters: 12.2457; 13.6867; 22.7701; 83.977; 80.763; 75.344;  

COD ID: 7151281
CIF file Formula: - C34 H34 N O5.5 -
Comments: Tu, Shu-Jiang; Jiang, Bo; Jia, Run-Hong; Zhang, Jun-Yong; Zhang, Yan; Yao, Chang-Sheng; Shi, Feng An efficient one-pot, three-component synthesis of indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione and quinoline-3-carbonitrile derivatives from enaminones. Organic & biomolecular chemistry 4(19) (2006) 3664-3668
Space group: C 1 2/c 1
Cell volume: 6179
Cell parameters: 25.094; 12.755; 19.891; 90; 103.926; 90;  

COD ID: 7151288
CIF file Formula: - C34 H39 N O2 -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P 1 21/n 1
Cell volume: 2871.1
Cell parameters: 14.321; 11.583; 17.877; 90; 104.49; 90;  

COD ID: 7151289
CIF file Formula: - C36 H35 N O2 -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P 1 21/c 1
Cell volume: 2888.4
Cell parameters: 9.081; 20.626; 15.6; 90; 98.69; 90;  

COD ID: 7151290
CIF file Formula: - C34 H33 N O2 S -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P -1
Cell volume: 1407.9
Cell parameters: 10.088; 16.317; 9.031; 91.18; 97.28; 72.73;  

COD ID: 7151291
CIF file Formula: - C34 H39 N O2 -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P 1 21/a 1
Cell volume: 2831
Cell parameters: 9.471; 30.489; 10.734; 90; 114.03; 90;  

COD ID: 7151292
CIF file Formula: - C36 H35 N O2 -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P b c a
Cell volume: 5826
Cell parameters: 20.947; 31.759; 8.758; 90; 90; 90;  

COD ID: 7151293
CIF file Formula: - C34 H33 N O2 S -
Comments: Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry 4(18) (2006) 3406-3409
Space group: P -1
Cell volume: 1397.1
Cell parameters: 11.009; 13.949; 9.752; 97.99; 101.46; 72.82;  

COD ID: 7151295
CIF file Formula: - C11 H22 I N O -
Comments: Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A. Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines. Organic & biomolecular chemistry 4(23) (2006) 4285-4291
Space group: P 21 21 21
Cell volume: 1339.5
Cell parameters: 7.1485; 13.16; 14.239; 90; 90; 90;  

COD ID: 7151302
CIF file Formula: - C61.5 H76.5 Cl1.5 N6 O6 -
Comments: Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes. Organic & biomolecular chemistry 4(21) (2006) 3938-3944
Space group: C 1 2/c 1
Cell volume: 12174
Cell parameters: 34.004; 15.738; 26.894; 90; 122.233; 90;  

COD ID: 7151315
CIF file Formula: - C22 H23 N O3 -
Comments: Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E Short, asymmetric synthesis of epi-morphine ACNO analogues. Organic & biomolecular chemistry 4(21) (2006) 3898-3900
Space group: P 1 21/c 1
Cell volume: 1799.1
Cell parameters: 11.945; 11.653; 16.339; 90; 127.717; 90;  

COD ID: 7151316
CIF file Formula: - C24 H24 N2 O4 -
Comments: Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E Short, asymmetric synthesis of epi-morphine ACNO analogues. Organic & biomolecular chemistry 4(21) (2006) 3898-3900
Space group: C 1 c 1
Cell volume: 2055.5
Cell parameters: 17.576; 15.667; 7.465; 90; 90.461; 90;  

COD ID: 7151325
CIF file Formula: - C18 H25 N O6 S -
Comments: Moloney, Mark G.; Panchal, Terry; Pike, Richard trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones. Organic & biomolecular chemistry 4(21) (2006) 3894-3897
Space group: P 1 21 1
Cell volume: 962.03
Cell parameters: 10.6783; 8.1891; 11.1365; 90; 98.9319; 90;  

COD ID: 7151338
CIF file Formula: - C22 H33 N O6 -
Comments: Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin. Organic & biomolecular chemistry 4(24) (2006) 4431-4436
Space group: P 1 21/n 1
Cell volume: 2024.7
Cell parameters: 6.261; 37.479; 8.6291; 90; 90.841; 90;  

COD ID: 7151359
CIF file Formula: - C48 H48 O12 -
Comments: Ashram, Muhammad; Mizyed, Shehadeh; Georghiou, Paris E. Ester derivatives of hexahomotrioxacalix[3]naphthalenes: conformational and binding properties with alkali metal cations Organic & Biomolecular Chemistry 1(3) (2003) 599
Space group: P b c a
Cell volume: 8538.1
Cell parameters: 17.092; 30.493; 16.382; 90; 90; 90;  

COD ID: 7151365
CIF file Formula: - C63.5 H119.8 N11 O14.9 -
Comments: Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z. Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution Organic & Biomolecular Chemistry 1(9) (2003) 1466
Space group: P 21 21 21
Cell volume: 7664.2
Cell parameters: 12.3997; 20.171; 30.6428; 90; 90; 90;  

COD ID: 7151366
CIF file Formula: - C64 H121.8 N11 O15.4 -
Comments: Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z. Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution Organic & Biomolecular Chemistry 1(9) (2003) 1466
Space group: P 21 21 21
Cell volume: 7708.8
Cell parameters: 12.43; 20.256; 30.617; 90; 90; 90;  

COD ID: 7151367
CIF file Formula: - C62 H123 N11 O18 -
Comments: Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z. Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution Organic & Biomolecular Chemistry 1(9) (2003) 1466
Space group: P 21 21 21
Cell volume: 8221.3
Cell parameters: 17.2986; 19.69; 24.137; 90; 90; 90;  

COD ID: 7151368
CIF file Formula: - C62 H123.8 N11 O18.4 -
Comments: Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z. Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution Organic & Biomolecular Chemistry 1(9) (2003) 1466
Space group: P 21 21 21
Cell volume: 7867.3
Cell parameters: 17.358; 19.515; 23.225; 90; 90; 90;  

COD ID: 7151383
CIF file Formula: - C81.5 H93 Cl4 I4 N0 O11.5 -
Comments: Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D. Halo-Derivatised Calix[4]tubes Organic & Biomolecular Chemistry 1(7) (2003) 1232
Space group: P -1
Cell volume: 4423
Cell parameters: 11.413; 13.296; 32.14; 81.631; 81.645; 67.077;  

COD ID: 7151388
CIF file Formula: - C38 H34 O5 -
Comments: Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/ Organic & Biomolecular Chemistry 1(7) (2003) 1240
Space group: P -1
Cell volume: 1507.9
Cell parameters: 12.031; 14.718; 9.702; 107.6; 102.69; 68.07;  

COD ID: 7151389
CIF file Formula: - C43 H36 O4 -
Comments: Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/ Organic & Biomolecular Chemistry 1(7) (2003) 1240
Space group: P -1
Cell volume: 1647.4
Cell parameters: 11.899; 13.792; 11.684; 98.192; 111.951; 67.864;  

COD ID: 7151390
CIF file Formula: - C34 H31 N O3 -
Comments: Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/ Organic & Biomolecular Chemistry 1(7) (2003) 1240
Space group: P -1
Cell volume: 1375.4
Cell parameters: 11.882; 12.857; 10.411; 98.94; 104.64; 63.49;  

COD ID: 7151415
CIF file Formula: - C42 H34 -
Comments: Toyota, Shinji; Iida, Taku; Kunizane, Chinatsu; Tanifuji, Naoki; Yoshida, Yukihiro Rotational isomerism involving an acetylenic carbon iv: synthesis and structure of bis(1,1?;3?,1?-terphenyl-2?-yl)ethynes: molecular design of sterically congested alkynes toward restricted rotation about acetylenic axis.Part 3. See ref. 1 Organic & Biomolecular Chemistry 1(13) (2003) 2298
Space group: P 1 21/n 1
Cell volume: 3225.8
Cell parameters: 10.5516; 26.343; 11.8322; 90; 101.243; 90;  

COD ID: 7151417
CIF file Formula: - C27 H34 O3 Si -
Comments: Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L. An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/ Organic & Biomolecular Chemistry 1(11) (2003) 1842
Space group: P 1 21/a 1
Cell volume: 2406.2
Cell parameters: 12.9389; 11.7515; 16.957; 90; 111.055; 90;  

COD ID: 7151420
CIF file Formula: - C38 H23 Cl2 F6 N2 O2 P S -
Comments: Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/ Organic & Biomolecular Chemistry 1(14) (2003) 2572
Space group: P 1 21/c 1
Cell volume: 2951.2
Cell parameters: 11.16; 28.552; 9.773; 90; 108.615; 90;  

COD ID: 7151421
CIF file Formula: - C15 H14 S -
Comments: Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/ Organic & Biomolecular Chemistry 1(14) (2003) 2572
Space group: P 1 21/c 1
Cell volume: 1187.4
Cell parameters: 9.228; 6.064; 22.113; 90; 106.348; 90;  

COD ID: 7151424
CIF file Formula: - C63 H30 N14 O S4 -
Comments: Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest Organic & Biomolecular Chemistry 1(21) (2003) 3845
Space group: P 1 21/c 1
Cell volume: 2733
Cell parameters: 9.979; 27.55; 12.035; 90; 124.31; 90;  

COD ID: 7151431
CIF file Formula: - C14 H13 N O4 -
Comments: Hunter, Roger; Richards, Philip Stereoselective tetrapyrido[2,1-a]isoindolone synthesis via carbanionic and radical intermediates: a model study for the Tacaman alkaloid D/E ring fusionElectronic supplementary information (ESI) available: Experimental details for compounds 21?23. See http://www.rsc.org/suppdata/ob/b3/b303031h/ Organic & Biomolecular Chemistry 1(13) (2003) 2348
Space group: P 1 21 1
Cell volume: 610.47
Cell parameters: 8.375; 7.653; 9.691; 90; 100.634; 90;  

COD ID: 7151465
CIF file Formula: - C14 H11 N O4 -
Comments: Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C. Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/ Organic & Biomolecular Chemistry 1(14) (2003) 2492
Space group: P -1
Cell volume: 1232.4
Cell parameters: 7.005; 12.8848; 13.7023; 91.151; 94.66; 90.007;  

COD ID: 7151466
CIF file Formula: - C14 H11 Cl2 N O4 -
Comments: Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C. Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/ Organic & Biomolecular Chemistry 1(14) (2003) 2492
Space group: P 1 21/a 1
Cell volume: 1413.9
Cell parameters: 7.4491; 13.6937; 13.8646; 90; 91.317; 90;  

COD ID: 7151467
CIF file Formula: - C21 H27 N O7 -
Comments: Hussaini, Syed Raziullah; Moloney, Mark G. 2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation Organic & Biomolecular Chemistry 1(11) (2003) 1838
Space group: P 21 21 21
Cell volume: 2102.42
Cell parameters: 11.559; 11.8196; 15.3885; 90; 90; 90;  

COD ID: 7151468
CIF file Formula: - C22 H29 N O7 -
Comments: Hussaini, Syed Raziullah; Moloney, Mark G. 2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation Organic & Biomolecular Chemistry 1(11) (2003) 1838
Space group: P 21 21 21
Cell volume: 2124.65
Cell parameters: 5.8063; 16.1078; 22.717; 90; 90; 90;  

COD ID: 7151470
CIF file Formula: - C26 H26 N2 O4 S -
Comments: Anwar, Muhammed; Bailey, Jonathan H.; Dickinson, Laura C.; Edwards, Hermia J.; Goswami, Rajesh; Moloney, Mark G. Pyrrolidinones derived from (S)-pyroglutamic acid: penmacric acid and analoguesPart V. For parts I?IV see refs. 20?22, 24 Organic & Biomolecular Chemistry 1(13) (2003) 2364
Space group: P 21 21 21
Cell volume: 2298.5
Cell parameters: 14.089; 6.305; 25.875; 90; 90; 90;  

COD ID: 7151480
CIF file Formula: - C31 H57 Cl N2 P2 S -
Comments: Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene Organic & Biomolecular Chemistry 1(17) (2003) 3054
Space group: P -1
Cell volume: 3647
Cell parameters: 14.28; 25.481; 10.83; 92.549; 111.862; 85.841;  

COD ID: 7151481
CIF file Formula: - C31 H57 Cl3 N2 P2 Pt S -
Comments: Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene Organic & Biomolecular Chemistry 1(17) (2003) 3054
Space group: P 1 21/a 1
Cell volume: 3786.6
Cell parameters: 11.0215; 21.108; 16.2925; 90; 92.524; 90;  

COD ID: 7151482
CIF file Formula: - C34.5 H61 Cl3 N2 P2 Pt S -
Comments: Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene Organic & Biomolecular Chemistry 1(17) (2003) 3054
Space group: P 1 21/n 1
Cell volume: 4070.7
Cell parameters: 20.7395; 16.555; 11.8561; 90; 90.06; 90;  

COD ID: 7151496
CIF file Formula: - C12 H6 F5 N O4 -
Comments: Wiklund, Per; Romero, Ivan; Bergman, Jan Products from dehydration of dicarboxylic acids derived from anthranilic acid Organic & Biomolecular Chemistry 1(19) (2003) 3396
Space group: P 1 21/c 1
Cell volume: 1278.6
Cell parameters: 10.323; 8.328; 15.665; 90; 108.3; 90;  

COD ID: 7151500
CIF file Formula: - C6 H10 N4 S -
Comments: Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H. Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents Organic & Biomolecular Chemistry 1(18) (2003) 3217
Space group: P 1 21/c 1
Cell volume: 767.95
Cell parameters: 7.9079; 12.48; 7.7913; 90; 92.89; 90;  

COD ID: 7151501
CIF file Formula: - C6 H11 Br N4 S -
Comments: Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H. Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents Organic & Biomolecular Chemistry 1(18) (2003) 3217
Space group: P n m a
Cell volume: 955.8
Cell parameters: 15.295; 6.895; 9.063; 90; 90; 90;  

COD ID: 7151502
CIF file Formula: - C6 H9 I3 N2 S -
Comments: Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H. Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents Organic & Biomolecular Chemistry 1(18) (2003) 3217
Space group: P b c a
Cell volume: 2509.3
Cell parameters: 13.42; 12.95; 14.439; 90; 90; 90;  

COD ID: 7151503
CIF file Formula: - C22 H32 O4 Si -
Comments: Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J. Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3772
Space group: P 1 21 1
Cell volume: 1101.38
Cell parameters: 8.4698; 6.4952; 20.0695; 90; 94.0089; 90;  

COD ID: 7151504
CIF file Formula: - C16 H18 O4 -
Comments: Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J. Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3772
Space group: P 21 21 21
Cell volume: 1413.21
Cell parameters: 5.8009; 13.1214; 18.5666; 90; 90; 90;  

COD ID: 7151505
CIF file Formula: - C16 H18 O4 -
Comments: Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J. Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3772
Space group: P 21 21 21
Cell volume: 1398.85
Cell parameters: 5.1126; 14.2991; 19.1347; 90; 90; 90;  

COD ID: 7151506
CIF file Formula: - C96 H94 Cl2 N4 Si2 -
Comments: Krivokapic, Alexander; Anderson, Harry L. Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3639
Space group: P 1 21/c 1
Cell volume: 4085.22
Cell parameters: 13.7851; 17.4951; 17.3777; 90; 102.901; 90;  

COD ID: 7151507
CIF file Formula: - C112 H111 Cl3 N6 Si3 -
Comments: Krivokapic, Alexander; Anderson, Harry L. Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3639
Space group: P 1 21/a 1
Cell volume: 10290.3
Cell parameters: 32.9322; 8.629; 36.665; 90; 99.019; 90;  

COD ID: 7151509
CIF file Formula: - C20 H24 O11 S2 -
Comments: Hollowood, Christopher J.; Ley, Steven V. Reductive decomplexation of ?-allyltricarbonyliron lactone complexes using sodium naphthalenide as a route to stereodefined 1,7-diols and 2,3-diene-1,7-diols Organic & Biomolecular Chemistry 1(18) (2003) 3197
Space group: P 1 21 1
Cell volume: 1191.29
Cell parameters: 10.747; 8.3113; 13.5613; 90; 100.432; 90;  

COD ID: 7151514
CIF file Formula: - C25 H33 N O2 -
Comments: Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M. Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (�)-3-methylcyclopentene-1-carboxylateThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3698
Space group: P -1
Cell volume: 2254.2
Cell parameters: 11.289; 11.4013; 19.344; 96.03; 95.87; 112.82;  

COD ID: 7151515
CIF file Formula: - C26 H35 N O2 -
Comments: Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M. Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (�)-3-methylcyclopentene-1-carboxylateThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry 1(21) (2003) 3698
Space group: P 21 2 21
Cell volume: 2381.3
Cell parameters: 9.9698; 10.8697; 21.974; 90; 90; 90;  

COD ID: 7151516
CIF file Formula: - C24 H33 N2 O5.5 S2 -
Comments: Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/ Organic & Biomolecular Chemistry 1(22) (2003) 4058
Space group: P 1 21 1
Cell volume: 2448.8
Cell parameters: 14.905; 17.292; 9.515; 90; 93.09; 90;  

COD ID: 7151519
CIF file Formula: - C20 H24 O11 S2 -
Comments: Gamblin, David P.; Garnier, Philippe; Ward, Sarah J.; Oldham, Neil J.; Fairbanks, Antony J.; Davis, Benjamin G. Glycosyl phenylthiosulfonates (Glyco-PTS): novel reagents for glycoprotein synthesisThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.Electronic supplementary information (ESI) available: experimental procedures, characterization, protein ESI-MS spectra and crystal data. See http://www.rsc.org/suppdata/ob/b3/b306990g/ Organic & Biomolecular Chemistry 1(21) (2003) 3642
Space group: P 1 21 1
Cell volume: 1191.29
Cell parameters: 10.747; 8.3113; 13.5613; 90; 100.432; 90;  

COD ID: 7151523
CIF file Formula: - C60 H44 F20 N4 O10 -
Comments: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry 1(21) (2003) 3857
Space group: P -1
Cell volume: 1437.8
Cell parameters: 8.728; 11.841; 14.929; 71.632; 80.69; 81.7;  

COD ID: 7151524
CIF file Formula: - C62 H46 F20 N6 O10 -
Comments: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry 1(21) (2003) 3857
Space group: P -1
Cell volume: 1531.4
Cell parameters: 9.599; 11.653; 15.605; 110.08; 95.75; 106.7;  

COD ID: 7151525
CIF file Formula: - C48 H24 Cl8 F12 N4 -
Comments: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry 1(21) (2003) 3857
Space group: I 41/a :2
Cell volume: 5138.4
Cell parameters: 15.963; 15.963; 20.165; 90; 90; 90;  

COD ID: 7151526
CIF file Formula: - C48 H28 Cl8 F12 N4 O2 -
Comments: Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry 1(21) (2003) 3857
Space group: I 41/a :2
Cell volume: 4699.3
Cell parameters: 13.102; 13.102; 27.375; 90; 90; 90;  


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