Information card for entry 8107606

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>-(4-fluorobenzoyl) oxime
• Formula: C28 H36 F N O2
• Calculated formula: C28 H36 F N O2
• 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-(4-fluorobenzoyl) oxime, C28H36FNO2
• Authors of publication: Yue, Lan; Wei, Peng; Ye, Jiang-Hei; He, Kang; Zou, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 941 - 943
• a: 6.3277 ± 0.0003 Å
• b: 11.9665 ± 0.0007 Å
• c: 32.2419 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No