Information card for entry 8107482

Structure parameters

• Chemical name: 7<i>α</i>,11<i>α</i>-dihydroxy-15-oxo-ent-kauran- 16-en-19,6<i>β</i>-olide
• Formula: C20 H26 O5
• Calculated formula: C20 H26 O5
• Title of publication: Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5
• Authors of publication: Zhang, Lu; Yuan, Hang; Ye, Jiang-Hai; He, Kang; Lai, Chun-Hua; Zou, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 513 - 515
• a: 7.5455 ± 0.0015 Å
• b: 12.735 ± 0.003 Å
• c: 18.333 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.7 ± 0.7 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: 0.0904
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No