Information card for entry 1556572

Structure parameters

• Formula: C20 H34 O5
• Calculated formula: C20 H34 O5
• SMILES: [C@H]12C[C@@H](C([C@@]1(CC[C@]13[C@H](C2=C)CC[C@H](C1)[C@](C3)(CO)O)O)(C)C)O.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: 6.4945 ± 0.0003 Å
• b: 11.4293 ± 0.0005 Å
• c: 24.7998 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1840.83 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No