Information card for entry 7217675

Structure parameters

• Common name: crotonlaevin N
• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• SMILES: O1C(=O)C2=CC[C@@H]3[C@]([C@H]2C[C@@H]1[C@@](O)(C=C)C)(C)CCCC3(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: 7.1319 ± 0.0006 Å
• b: 14.3359 ± 0.0011 Å
• c: 17.4859 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787.8 ± 0.3 ų
• Cell temperature: 291.4 ± 0.1 K
• Ambient diffraction temperature: 291.44 ± 0.1 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: 0.0419
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No