Information card for entry 8107707

Structure parameters

• Chemical name: (3<i>E</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>Z</i>)-17-ethylidene -10,13-dimethylhexadecahydro-3<i>H</i>-cyclopenta[<i>α</i>]phenanthren -3-one <i>O</i>-(methacryloyl) oxime
• Formula: C50 H74 N2 O4
• Calculated formula: C50 H74 N2 O4
• Title of publication: Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4
• Authors of publication: Wei, Peng; Zhao, Jin-Feng; Zou, Juan; Ye, Jiang-Hai; He, Kang; Xu, Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1219 - 1222
• a: 7.332 ± 0.0003 Å
• b: 11.8132 ± 0.0004 Å
• c: 13.1604 ± 0.0005 Å
• α: 99.191 ± 0.001°
• β: 95.039 ± 0.001°
• γ: 95.856 ± 0.001°
• Cell volume: 1113.06 ± 0.07 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: 0.1805
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No