Information card for entry 2227941

Structure parameters

• Chemical name: 5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one monohydrate
• Formula: C18 H18 O8
• Calculated formula: C18 H18 O8
• SMILES: o1c2cc(O)c(OC)c(O)c2c(=O)c(OC)c1c1ccc(OC)cc1.O
• Title of publication: 5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one monohydrate
• Authors of publication: Mohammad, Akhtar; Anis, Itrat; McKee, Vickie; Frese, Josef W. A.; Shah, Muhammad Raza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2716 - o2717
• a: 19.869 ± 0.004 Å
• b: 6.8126 ± 0.0015 Å
• c: 24.424 ± 0.005 Å
• α: 90°
• β: 91.298 ± 0.004°
• γ: 90°
• Cell volume: 3305.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes