Information card for entry 2211789

Structure parameters

• Chemical name: 3-Hydroxy-4-oxo-2-phenyl-4H-chromene-6-carboxylic acid dimethylformamide solvate
• Formula: C19 H17 N O6
• Calculated formula: C19 H17 N O6
• SMILES: o1c(c(O)c(=O)c2c1ccc(c2)C(=O)O)c1ccccc1.O=CN(C)C
• Title of publication: 3-Hydroxy-4-oxo-2-phenyl-4<i>H</i>-chromene-6-carboxylic acid dimethylformamide solvate
• Authors of publication: Liu, Chong-Bo; Chen, Yun-Hua; Zhou, Xiao-Ying; Ding, Liang; Wen, Hui-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o90 - o91
• a: 7.5036 ± 0.0017 Å
• b: 9.666 ± 0.002 Å
• c: 12.509 ± 0.003 Å
• α: 106.806 ± 0.002°
• β: 93.68 ± 0.003°
• γ: 95.967 ± 0.003°
• Cell volume: 859.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes