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CIF Information Card
Information card for 2200005
2200004 << 2200005 >> 2200006Preview
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Coordinates |
2200005.cif |
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Structure factors |
2200005.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | Cyproterone |
| Chemical name | 6-chloro-1,2-dihydro-17-hydroxy-3'H-cyclopropa[a]pregna-1,4,6-triene- 3,20-dione |
| Formula | - C22 H27 Cl O3 - |
| Calculated formula | - C22 H27 Cl O3 - |
| Title of publication | Comparison of the structures of cyproterone and its acetate ester |
| Authors of publication | de Ruyck, Jérôme; Henry de Hassonville, Sandrine; Liégeois, Jean-François; Wouters, Johan |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3576 - o3578 |
| a | 6.388 ± 0.001 Å |
| b | 14.182 ± 0.002 Å |
| c | 21.107 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1912.2 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0367 |
| Residual factor for observed reflections | 0.036 |
| Weighted residual factors for the observed reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for observed reflections | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |