Information card for entry 2009343

Structure parameters

• Chemical name: 3α-Hydroxy-5α-androstane-4,17-dione
• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: C1C[C@H](C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CCC1=O)C)O
• Title of publication: 3α-Hydroxy-5α-androstane-4,17-dione
• Authors of publication: Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2149 - 2151
• a: 7.869 ± 0.002 Å
• b: 10.113 ± 0.003 Å
• c: 10.771 ± 0.005 Å
• α: 76.21 ± 0.03°
• β: 85.78 ± 0.03°
• γ: 84.6 ± 0.03°
• Cell volume: 827.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes