Information card for entry 2215138

Structure parameters

• Chemical name: 5,7-Dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
• Formula: C18 H16 O5
• Calculated formula: C18 H16 O5
• SMILES: c1(=O)c2c(cc(cc2occ1c1ccc(cc1)OC)OC)OC
• Title of publication: 5,7-Dimethoxy-3-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one
• Authors of publication: Li, Huan-Qiu; Xiao, Zhu-Ping; Fang, Rui-Qin; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3923 - o3923
• a: 8.5649 ± 0.001 Å
• b: 10.3212 ± 0.0013 Å
• c: 10.5563 ± 0.0013 Å
• α: 63.783 ± 0.002°
• β: 71.937 ± 0.002°
• γ: 65.953 ± 0.002°
• Cell volume: 754.83 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes