Information card for entry 2230089

Structure parameters

• Chemical name: Dimethylammonium 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate
• Formula: C13 H15 N O5
• Calculated formula: C13 H15 N O5
• SMILES: [NH2+](C)C.c1(=O)ccc2ccc(cc2o1)OCC(=O)[O-]
• Title of publication: Dimethylammonium 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate
• Authors of publication: Dong, Feng-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1105
• a: 6.714 ± 0.005 Å
• b: 8.146 ± 0.007 Å
• c: 12.767 ± 0.012 Å
• α: 83.33 ± 0.04°
• β: 79.16 ± 0.03°
• γ: 67.78 ± 0.03°
• Cell volume: 634.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes