Information card for entry 2233652

Structure parameters

• Chemical name: Hydrogen 4-ammoniophenylphosphonate
• Formula: C6 H8 N O3 P
• Calculated formula: C6 H8 N O3 P
• SMILES: P(=O)([O-])(O)c1ccc([NH3+])cc1
• Title of publication: Hydrogen 4-ammoniophenylphosphonate
• Authors of publication: Thiele, Kerstin; Wagner, Christoph; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o263
• a: 7.0967 ± 0.0013 Å
• b: 6.2911 ± 0.0008 Å
• c: 8.429 ± 0.0013 Å
• α: 90°
• β: 100.606 ± 0.014°
• γ: 90°
• Cell volume: 369.89 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes