Information card for entry 7158662

Structure parameters

• Formula: C34 H32 O10
• Calculated formula: C34 H32 O10
• Title of publication: Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations.
• Authors of publication: Zhou, Tingting; Zheng, Anquan; Zhang, Wenge; Lu, Xiuxiang; Chen, Huiyu; Tan, Haibo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4096 - 4100
• a: 15.5676 ± 0.0005 Å
• b: 13.8531 ± 0.0003 Å
• c: 26.8877 ± 0.001 Å
• α: 90°
• β: 99.841 ± 0.003°
• γ: 90°
• Cell volume: 5713.3 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No