Information card for entry 1552685

Structure parameters

• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• SMILES: [C@H]12C[C@H](C([C@@]1(CC[C@]13[C@H](C2=C)CC[C@H](C1)[C@](C3)(C)O)O)(C)C)O
• Title of publication: Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.
• Authors of publication: Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 1849 - 1860
• a: 12.043 ± 0.002 Å
• b: 12.546 ± 0.003 Å
• c: 23.192 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504.1 ± 1.3 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: 0.0323
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No