Information card for entry 2222488

Structure parameters

• Common name: <i>N</i>-<i>tert</i>-Butyl-3-hydroxy-5-androstene-17-carboxamide monohydrate
• Chemical name: <i>N</i>-(<i>tert</i>-butyl)-3-hydroxy-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydo-1<i>H</i>- cyclopenta[α]phenanthrene-17-carboxamide monohydrate
• Formula: C24 H41 N O3
• Calculated formula: C24 H41 N O3
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-3-hydroxy-5-androstene-17-carboxamide monohydrate
• Authors of publication: Li, Jiang-Sheng; Simpson, Jim; Li, Xiao-Jun; Li, Xun; Huang, Peng-Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1507 - o1508
• a: 9.934 ± 0.006 Å
• b: 7.469 ± 0.005 Å
• c: 30.647 ± 0.018 Å
• α: 90°
• β: 91.547 ± 0.01°
• γ: 90°
• Cell volume: 2273 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes