Information card for entry 7217677

Structure parameters

• Common name: crotonlaevin P
• 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: 6.519 ± 0.002 Å
• b: 17.905 ± 0.006 Å
• c: 31.128 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633 ± 2 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: 0.1383
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No