Information card for entry 2215497

Structure parameters

• Chemical name: 7-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl acetate
• Formula: C19 H16 O6
• Calculated formula: C19 H16 O6
• SMILES: O(c1ccc(cc1)c1c(=O)c2c(OC(=O)C)cc(OC)cc2oc1)C
• Title of publication: 7-Methoxy-3-(4-methoxyphenyl)-4-oxo-4<i>H</i>-chromen-5-yl acetate
• Authors of publication: Li, Huan-Qiu; Shi, Lei; Xiao, Zhu-Ping; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3953 - o3953
• a: 14.2159 ± 0.0016 Å
• b: 12.7207 ± 0.0015 Å
• c: 9.22 ± 0.0011 Å
• α: 90°
• β: 101.668 ± 0.002°
• γ: 90°
• Cell volume: 1632.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes