Information card for entry 2218042

Structure parameters

• Chemical name: 8-Hydroxy-5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one
• Formula: C18 H16 O6
• Calculated formula: C18 H16 O6
• SMILES: o1c(cc(=O)c2c1c(O)c(OC)c(OC)c2OC)c1ccccc1
• Title of publication: 8-Hydroxy-5,6,7-trimethoxy-2-phenyl-4<i>H</i>-chromen-4-one
• Authors of publication: Theodoro, Jahyr E.; Santos, Djalma; Pérez, Hiram; Silva, Maria Fátima das Graças Fernandes da; Ellena, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o899
• a: 8.4536 ± 0.0002 Å
• b: 9.0878 ± 0.0002 Å
• c: 10.7832 ± 0.0003 Å
• α: 79.545 ± 0.002°
• β: 71.564 ± 0.001°
• γ: 86.925 ± 0.002°
• Cell volume: 772.85 ± 0.03 ų
• Cell temperature: 294 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 significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes