Information card for entry 7104215

Structure parameters

• Formula: C23 H35 N O2
• Calculated formula: C23 H35 N O2
• SMILES: C1CC(=O)[C@H]([C@H]2[C@]1([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(=O)CC2)C)C)N1CCCC1
• 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: 7.7287 ± 0.0007 Å
• b: 8.6066 ± 0.0008 Å
• c: 29.9778 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No