Information card for entry 2218128

Structure parameters

• Chemical name: 5,3'-Dihydroxy-7,4'-dimethoxyflavanone
• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• SMILES: O1[C@@H](c2ccc(OC)c(O)c2)CC(=O)c2c(O)cc(OC)cc12
• Title of publication: 5,3'-Dihydroxy-7,4'-dimethoxyflavanone from <i>Artemisia sphaerocephala</i> Kraschen
• Authors of publication: Yao, Sumei; Qing, Weixia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o822
• a: 5.4234 ± 0.0012 Å
• b: 9.293 ± 0.002 Å
• c: 14.94 ± 0.003 Å
• α: 90°
• β: 91.039 ± 0.002°
• γ: 90°
• Cell volume: 752.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes