Information card for entry 7104216

Structure parameters

• Formula: C23 H37 N O3
• Calculated formula: C23 H37 N O3
• SMILES: C1C[C@H]([C@@H]([C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CCC1=O)C)N1CCOCC1)O
• Title of publication: Significant steroids: effective and general synthesis of 4alpha- and 4beta-amino-5alpha-androstanes.
• Authors of publication: Ke, Xianbing; Hu, Hao; Zhang, Keda; Xu, Wenjin; Zhu, Qifeng; Wu, Lamei; Hu, Xianming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1037 - 1039
• a: 8.3064 ± 0.0005 Å
• b: 11.8271 ± 0.0007 Å
• c: 21.4585 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No