Information card for entry 2214714

Structure parameters

• Chemical name: 5α-androst-2-en-17-one
• Formula: C19 H28 O
• Calculated formula: C19 H28 O
• SMILES: O=C1[C@@]2(CC[C@H]3[C@@]4(CC=CC[C@H]4CC[C@@H]3[C@H]2CC1)C)C
• Title of publication: 5α-Androst-2-en-17-one
• Authors of publication: Datong Zhang; Jun Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3645 - o3645
• a: 6.4725 ± 0.0017 Å
• b: 9.003 ± 0.002 Å
• c: 27.19 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1584.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes