Information card for entry 8107391

Structure parameters

• Chemical name: 1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-3- ((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro- 1<i>H</i>-cyclopenta[<i>α</i>]phenanthren-17-yl)ethan -1-one
• Formula: C28 H41 N O2
• Calculated formula: C28 H41 N O2
• Title of publication: Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C28H41NO2
• Authors of publication: Zhang, Wen-Wen; Ye, Jiang-Hai; Huang, Hua; Zou, Juan; He, Kang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 189 - 191
• a: 10.448 ± 0.0005 Å
• b: 12.4188 ± 0.0006 Å
• c: 18.3905 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No