Information card for entry 2221210

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl-5α-androstane-17β-carboxamide
• Formula: C24 H41 N O
• Calculated formula: C24 H41 N O
• SMILES: N(C(=O)[C@@H]1[C@]2(CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]2CC1)C)C(C)(C)C
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-5α-androstane-17β-carboxamide
• Authors of publication: Yan, Xin; Xu, Shiqing; Wang, Jingmei; Chen, Ying; Xia, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o587
• a: 6.373 ± 0.002 Å
• b: 12.802 ± 0.004 Å
• c: 26.775 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2184.5 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.082
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes