Information card for entry 2227155

Structure parameters

• Chemical name: 2-Phenylanilinium dihydrogen phosphate
• Formula: C12 H14 N O4 P
• Calculated formula: C12 H14 N O4 P
• SMILES: P(=O)([O-])(O)O.[NH3+]c1ccccc1c1ccccc1
• Title of publication: 2-Phenylanilinium dihydrogen phosphate
• Authors of publication: Mrad, Mohamed Lahbib; Ammar, Salah; Ferretti, Valeria; Rzaigui, Mohamed; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2556
• a: 15.458 ± 0.0004 Å
• b: 4.7422 ± 0.0001 Å
• c: 18.4765 ± 0.0006 Å
• α: 90°
• β: 112.008 ± 0.001°
• γ: 90°
• Cell volume: 1255.72 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.1195
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes