Information card for entry 1552690

Structure parameters

• Formula: C20 H32 O6
• Calculated formula: C20 H32 O6
• SMILES: O[C@@H]1[C@@H]2[C@@](O)(C([C@H]1O)(C)C)[C@H](O)C[C@]13C(=C2C)CC[C@](O)(C1)[C@](O)(C3)C
• 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: 7.0243 ± 0.0002 Å
• b: 10.7505 ± 0.0003 Å
• c: 24.3048 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1835.37 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No