Information card for entry 8105832

Structure parameters

• Formula: C41 H64 O9
• Calculated formula: C41 H64 O9
• Title of publication: Crystal structure of 6-hydroxy-4,8,11b-trimethyltetradecayhdro-8,11-epoxy-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid – methanol (1/1), C20H30O4
• Authors of publication: Zou, Juan; Tang, Tian-Tian; Ye, Jiang-Hai; Zhao, Chen-Liang; He, Kang; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 725 - 727
• a: 12.6727 ± 0.0004 Å
• b: 19.8422 ± 0.0007 Å
• c: 7.5471 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1897.75 ± 0.12 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 242.97 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No