Information card for entry 2018378

Structure parameters

• Chemical name: anilinium dihydrogen phosphate
• Formula: C6 H10 N O4 P
• Calculated formula: C6 H10 N O4 P
• SMILES: [NH3+]c1ccccc1.P(=O)([O-])(O)O
• Title of publication: Anilinium dihydrogen phosphate
• Authors of publication: Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o57 - o60
• a: 8.804 ± 0.0003 Å
• b: 10.422 ± 0.0004 Å
• c: 14.089 ± 0.0006 Å
• α: 86.418 ± 0.002°
• β: 75.889 ± 0.0019°
• γ: 83.016 ± 0.002°
• Cell volume: 1243.71 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes