Information card for entry 8107224

Structure parameters

• Chemical name: 1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one
• Formula: C27 H39 N O
• Calculated formula: C27 H39 N O
• Title of publication: Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO
• Authors of publication: Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 815 - 817
• a: 10.5248 ± 0.0007 Å
• b: 12.6248 ± 0.0007 Å
• c: 16.8913 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No