Information card for entry 7217674

Structure parameters

• Common name: crotonlaevin M
• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O1C(=O)C2=C([C@@]3([C@@H](C[C@H]2O)C(CCC3)(C)C)C)C[C@H]1/C(=C/CO)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: 9.1613 ± 0.0004 Å
• b: 11.8102 ± 0.0007 Å
• c: 16.996 ± 0.0009 Å
• α: 90°
• β: 95.829 ± 0.005°
• γ: 90°
• Cell volume: 1829.4 ± 0.17 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No