Crystallography Open Database





Information card for 7150545

7150544 << 7150545 >> 7150546

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Coordinates

7150545.cif

Structure parameters

Formula - C15 H20 O5 S -
Calculated formula - C15 H20 O5 S -
Title of publication Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula
Authors of publication Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.
Journal of publication Organic &amp; Biomolecular Chemistry
Year of publication 2009
Journal volume 7
Journal issue 2
Pages of publication 238 - 252
a 5.5615 ± 0.0017 Å
b 27.699 ± 0.008 Å
c 10.094 ± 0.003 Å
α 90°
β 105.644 ± 0.006°
γ 90°
Cell volume 1497.4 ± 0.8 Å3
Cell temperature 150 K
Ambient diffraction temperature 150 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 1 21 1
Hall symmetry space group P 2yb
Residual factor for all reflections 0.0763
Residual factor for observed reflections 0.0528
Weighted residual factors for all reflections 0.1238
Weighted residual factors for the observed reflections 0.1102
Weighted residual factors for all reflections included in the refinement 0.1238
Goodness-of-fit parameter for observed reflections 1.0051
Diffraction radiation wavelength 0.6898 Å
Diffraction radiation type synchrotron
Has coordinates Yes
Has disorder No
Has Fobs No

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