Information card for entry 2011382

Structure parameters

• Chemical name: Anilinium hydrogenoxalate monohydrate
• Formula: C8 H10 N O4.5
• Calculated formula: C8 H10 N O4.5
• SMILES: [NH3+]c1ccccc1.[O-]C(=O)C(=O)O.O
• Title of publication: Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1132 - 1135
• a: 23.9825 ± 0.0019 Å
• b: 5.7253 ± 0.0014 Å
• c: 13.891 ± 0.002 Å
• α: 90°
• β: 109.34 ± 0.011°
• γ: 90°
• Cell volume: 1799.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes