Information card for entry 1556570

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: [C@@H]12C[C@@H](C([C@@]1(O)[C@H](O)C[C@@]13[C@H](C2=C)CC[C@@H](C(=C1)CO)C3)(C)C)O
• Title of publication: Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.
• Authors of publication: Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 3330 - 3339
• a: 9.247 ± 0.005 Å
• b: 9.247 ± 0.005 Å
• c: 42.695 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3651 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No