Information card for entry 1556569

Structure parameters

• Formula: C40 H70 O13
• Calculated formula: C40 H70 O13
• 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: 22.86913 ± 0.00011 Å
• b: 10.48269 ± 0.00004 Å
• c: 8.06194 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.69 ± 0.014 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No