Information card for entry 2215948

Structure parameters

• Formula: C15 H16 O10
• Calculated formula: C15 H16 O10
• SMILES: O1c2cc(O)cc(O)c2C(=O)[C@H](O)[C@H]1c1cc(O)c(O)c(O)c1.O1c2cc(O)cc(O)c2C(=O)[C@@H](O)[C@@H]1c1cc(O)c(O)c(O)c1.O.O.O.O.O1c2cc(O)cc(O)c2C(=O)[C@@H](O)[C@@H]1c1cc(O)c(O)c(O)c1.O1c2cc(O)cc(O)c2C(=O)[C@H](O)[C@H]1c1cc(O)c(O)c(O)c1.O.O.O.O
• Title of publication: Racemic dihydromyricetin dihydrate
• Authors of publication: Xu, Zhongwei; Liu, Benguo; Ning, Zhengxiang; Zhang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4384 - o4384
• a: 15.391 ± 0.003 Å
• b: 7.9002 ± 0.0016 Å
• c: 24.161 ± 0.005 Å
• α: 90°
• β: 92.57 ± 0.03°
• γ: 90°
• Cell volume: 2934.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes