Information card for entry 1564219

Structure parameters

• Formula: C34 H32 O7
• Calculated formula: C34 H32 O7
• SMILES: O1c2c([C@@H]3C[C@H](O[C@@]1(CCc1ccccc1)C3)C[C@@H]1OC(=O)C=CC1)c1O[C@@H](c3ccccc3)CC(=O)c1c(O)c2
• Title of publication: Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis
• Authors of publication: He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui
• Journal of publication: Journal of Natural Products
• Year of publication: 2021
• a: 11.7559 ± 0.0002 Å
• b: 14.8246 ± 0.0003 Å
• c: 15.3854 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.31 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0573
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No