Information card for entry 1565511

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O[C@]([C@@H]1OC(=O)C2=C[C@H](O)[C@@H]3[C@@]([C@H]2C1)(CCCC3(C)C)C)(C=C)C
• Title of publication: Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.
• Authors of publication: Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 2971 - 2980
• a: 6.1966 ± 0.0002 Å
• b: 14.5187 ± 0.0006 Å
• c: 20.0035 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.65 ± 0.12 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0378
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No