Information card for entry 2228028

Structure parameters

• Chemical name: (<i>R</i>)-(1-Ammonioethyl)phosphonate
• Formula: C2 H8 N O3 P
• Calculated formula: C2 H8 N O3 P
• SMILES: P(=O)(O)([O-])[C@@H]([NH3+])C
• Title of publication: (<i>R</i>)-(1-Ammonioethyl)phosphonate
• Authors of publication: Fernandes, José A.; Almeida Paz, Filipe A.; Vilela, Sérgio M. F.; Tomé, João P. C.; Cavaleiro, José A. S.; Ribeiro-Claro, Paulo J. A.; Rocha, João
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2271 - o2272
• a: 4.8256 ± 0.0001 Å
• b: 10.3928 ± 0.0003 Å
• c: 10.4668 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 524.93 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes