Information card for entry 7217676

Structure parameters

• Common name: crotonlaevin O
• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• SMILES: C1CCC([C@@H]2CC=C3[C@@H]([C@@]12C)C[C@@H]([C@@](C=C)(C)O)OC3=O)(C)C
• Title of publication: Labdane-Type Diterpenoids from Croton laevigatus
• Authors of publication: Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 15.646 ± 0.017 Å
• b: 10.703 ± 0.012 Å
• c: 10.876 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1821 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0576
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No