Information card for entry 1100172

Structure parameters

• Common name: D-Phynylglycinium nitrate
• Chemical name: D-Phenylglycinium nitrate
• Formula: C8 H10 N2 O5
• Calculated formula: C8 H10 N2 O5
• SMILES: C(=O)([C@@H](c1ccccc1)[NH3+])O.N(=O)(=O)[O-]
• Title of publication: D-Phenylglycinium nitrate
• Authors of publication: Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Pages of publication: o272 - o274
• a: 10.432 ± 0.0003 Å
• b: 5.645 ± 0.0002 Å
• c: 16.783 ± 0.0002 Å
• α: 90°
• β: 94.943 ± 0.003°
• γ: 90°
• Cell volume: 984.65 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No