Information card for entry 1552686

Structure parameters

• Formula: C20 H32 O6
• Calculated formula: C20 H32 O6
• SMILES: O[C@@]12[C@H]([C@@H]([C@H](O)C2(C)C)O)C(=C)[C@H]2[C@]3(C[C@H]1O)C[C@@](O)([C@@](C3)(CC2)O)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: 7.21196 ± 0.00013 Å
• b: 11.8487 ± 0.00016 Å
• c: 11.19881 ± 0.00017 Å
• α: 90°
• β: 100.352 ± 0.0016°
• γ: 90°
• Cell volume: 941.39 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No