Information card for entry 1514342

Structure parameters

• Formula: C20 H33 O4.5
• Calculated formula: C20 H33 O4.5
• SMILES: O.O[C@@H]1CC[C@H]2[C@]([C@]1(O)C)(CC[C@H]([C@@]2(C[C@H](O)c1ccoc1)C)C)C
• Title of publication: Diterpenoids from Croton laui and Their Cytotoxic and Antimicrobial Activities.
• Authors of publication: Liu, Cui-Ping; Xu, Jin-Biao; Zhao, Jin-Xin; Xu, Cheng-Hui; Dong, Lei; Ding, Jian; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 1013 - 1020
• a: 10.4173 ± 0.0002 Å
• b: 12.2196 ± 0.0002 Å
• c: 29.6743 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3777.4 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No