Information card for entry 2221670

Structure parameters

• Common name: Genistein-3'-sulfonic acid dihydrate
• Chemical name: 5-(5,7-dihydroxy-4-oxo-4<i>H</i>-chromenyl)-2-hydroxybenzenesulfonic acid dihydrate
• Formula: C15 H14 O10 S
• Calculated formula: C15 H13 O10 S
• Title of publication: Genistein-3'-sulfonic acid dihydrate
• Authors of publication: Zhang, Chang-Peng; Ni, Hao; Tu, Hai-Yan; Xie, Yong-Rong; Yang, Rui-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1137 - o1138
• a: 7.91 ± 0.0004 Å
• b: 8.1977 ± 0.0003 Å
• c: 14.3431 ± 0.0007 Å
• α: 73.626 ± 0.003°
• β: 80.346 ± 0.003°
• γ: 65.498 ± 0.003°
• Cell volume: 810.61 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes