Information card for entry 2227894

Structure parameters

• Chemical name: (<i>R</i>)-(1-Ammoniopropyl)phosphonate
• Formula: C3 H10 N O3 P
• Calculated formula: C3 H10 N O3 P
• SMILES: P(=O)([O-])(O)[C@@H]([NH3+])CC
• Title of publication: (<i>R</i>)-(1-Ammoniopropyl)phosphonate
• Authors of publication: Fernandes, José A.; Vilela, Sérgio M. F.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2823 - o2824
• a: 9.3988 ± 0.0013 Å
• b: 6.2511 ± 0.0008 Å
• c: 10.8575 ± 0.0015 Å
• α: 90°
• β: 105.731 ± 0.009°
• γ: 90°
• Cell volume: 614.02 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes