Information card for entry 1506019

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20.001 H28 O3
• Title of publication: Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.
• Authors of publication: Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2775 - 2778
• a: 9.697 ± 0.002 Å
• b: 11.333 ± 0.003 Å
• c: 31.449 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3456.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No