Information card for entry 2209698

Structure parameters

• Chemical name: 7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: o1c(=O)c(cc2ccc(N(CC)CC)cc12)C(=O)O
• Title of publication: 7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylic acid
• Authors of publication: Bardajee, Ghasem Rezanejade; Winnik, Mitchell A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3076 - o3078
• a: 14.1207 ± 0.0004 Å
• b: 7.7519 ± 0.0004 Å
• c: 12.6348 ± 0.0005 Å
• α: 90°
• β: 116.482 ± 0.002°
• γ: 90°
• Cell volume: 1237.92 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.1223
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes