Information card for entry 2222607

Structure parameters

• Common name: m-carboxyanilinium oxalate
• Chemical name: 3-carboxyanilinium hemioxalate
• Formula: C16 H16 N2 O8
• Calculated formula: C16 H16 N2 O8
• SMILES: C(=O)(c1cc(ccc1)[NH3+])O.C(=O)([O-])C(=O)[O-].C(=O)(c1cc(ccc1)[NH3+])O
• Title of publication: 3-Carboxyanilinium hemioxalate
• Authors of publication: Bendjeddou, Lamia; Farah, Sara; Cherouana, Aouatef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1839 - o1840
• a: 22.034 ± 0.003 Å
• b: 10.779 ± 0.002 Å
• c: 6.9927 ± 0.001 Å
• α: 90°
• β: 103.918 ± 0.004°
• γ: 90°
• Cell volume: 1612 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes