Information card for entry 8107500

Structure parameters

• Chemical name: 1-((3<i>R</i>,10<i>S</i>,13<i>S</i>,17<i>S</i>)-10,13- dimethyl-3-(m-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,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO
• Authors of publication: Zhao, Jin-Feng; Zhang, Wen-Wen; Ye, Jiang-Hai; He, Kang; Zou, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 579 - 581
• a: 6.3144 ± 0.0008 Å
• b: 9.7315 ± 0.0013 Å
• c: 10.5867 ± 0.0014 Å
• α: 111.561 ± 0.004°
• β: 96.486 ± 0.004°
• γ: 97.128 ± 0.004°
• Cell volume: 591.41 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No