Information card for entry 2234823

Structure parameters

• Common name: oxyresveratrol
• Chemical name: 4-[(<i>E</i>)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol dihydrate
• Formula: C14 H16 O6
• Calculated formula: C14 H16 O6
• Title of publication: Oxyresveratrol from Mulberry as a dihydrate
• Authors of publication: Deng, Hui; He, Xixin; Xu, Yujuan; Hu, Xiaopeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1318 - o1319
• a: 6.6523 ± 0.0005 Å
• b: 9.2005 ± 0.0009 Å
• c: 11.5294 ± 0.0008 Å
• α: 72.533 ± 0.007°
• β: 78.686 ± 0.006°
• γ: 79.651 ± 0.007°
• Cell volume: 654.51 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes