Information card for entry 8107426

Structure parameters

• Chemical name: (3a7<i>R</i>,13b<i>R</i>)-3-((1<i>R</i>)-1-hydroxy-1-(5-methyl-6- oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3, 3a,4,5,11,11a,12,13,13b-decahydroindeno[5',4':4,5] cyclohepta[1,2-<i>c</i>]oxepin-9(1<i>H</i>)-one
• Formula: C30 H40 O5
• Calculated formula: C30 H40 O5
• Title of publication: Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C30H40O5
• Authors of publication: Ye, Jiang-Hai; Chen, Ren-Song; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 313 - 315
• a: 6.5012 ± 0.0003 Å
• b: 15.3297 ± 0.0007 Å
• c: 26.8138 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2672.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No