Information card for entry 2200889

Structure parameters

• Chemical name: p-Carboxyphenyl ammonium dihydrogenmonophosphate hydrate
• Formula: C7 H12 N O7 P
• Calculated formula: C7 H12 N O7 P
• SMILES: O.P(=O)([O-])(O)O.O=C(O)c1ccc([NH3+])cc1
• Title of publication: <i>p</i>-Carboxyphenylammonium dihydrogenmonophosphate monohydrate
• Authors of publication: Benali-Cherif, Nourredine; Abouimrane, Ali; Sbai, Kacem; Merazig, Hocine; Cherouana, Aouatef; Bendjeddou, Lamia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o160 - o161
• a: 8.517 ± 0.002 Å
• b: 8.902 ± 0.004 Å
• c: 14.513 ± 0.004 Å
• α: 106.49 ± 0.04°
• β: 90.17 ± 0.05°
• γ: 92.76 ± 0.04°
• Cell volume: 1053.7 ± 0.6 ų
• Cell temperature: 294 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: 0.039
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No