Crystallography Open Database

Information card for 2003061

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Structure factors


Original IUCr paper


Structure parameters

Common name 3,5-diCl-TEMPO
Chemical name 4-(3,5-dichlorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl
Formula - C16 H21 Cl2 N2 O -
Calculated formula - C16 H21 Cl2 N2 O -
Title of publication TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Authors of publication Fujiko Iwasaki
Journal of publication Acta Crystallographica Section B
Year of publication 1999
Journal volume 55
Journal issue 2
Pages of publication 231 - 245
a 14.035 ± 0.003 Å
b 22.964 ± 0.003 Å
c 10.71 ± 0.002 Å
α 90°
β 90°
γ 90°
Cell volume 3451.8 ± 1.1 Å3
Cell temperature 295 K
Ambient diffraction temperature 295 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P b c a
Hall symmetry space group -P 2ac 2ab
Residual factor for all reflections 0.1287
Residual factor for observed reflections 0.0491
Weighted residual factors for all reflections included in the refinement 0.1233
Goodness-of-fit parameter for observed reflections 0.996
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs Yes

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