Information card for entry 8105856

Structure parameters

• Formula: C29 H54 N2 O3
• Calculated formula: C29 H54 N2 O3
• Title of publication: Crystal structure of (E)-N-((3R,5S,10S, 13S,14S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide – water – methanol (1/1/1), C29H54N2O3
• Authors of publication: Tan, Bo; Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Cheng; Du, Jiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 801 - 803
• a: 9.8091 ± 0.0011 Å
• b: 7.6661 ± 0.0008 Å
• c: 19.095 ± 0.002 Å
• α: 90°
• β: 93.171 ± 0.004°
• γ: 90°
• Cell volume: 1433.7 ± 0.3 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No