Information card for entry 8107344

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- (<i>p</i>-tolylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one
• Formula: C28 H41 N O
• Calculated formula: C28 H41 N O
• Title of publication: Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO
• Authors of publication: Huang, Hua; Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 31 - 33
• a: 10.5758 ± 0.001 Å
• b: 12.3659 ± 0.0009 Å
• c: 18.0301 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2358 ± 0.4 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: 0.1331
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No