Information card for entry 2214666

Structure parameters

• Chemical name: 2-Amino-3-carboxypyridinium dihydrogenphosphate
• Formula: C6 H9 N2 O6 P
• Calculated formula: C6 H9 N2 O6 P
• SMILES: P(=O)(O)(O)[O-].O=C(O)c1c([nH+]ccc1)N
• Title of publication: 2-Amino-3-carboxypyridinium dihydrogenphosphate
• Authors of publication: Samah Akriche; Mohamed Rzaigui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3460 - o3460
• a: 12.877 ± 0.003 Å
• b: 4.658 ± 0.003 Å
• c: 15.978 ± 0.002 Å
• α: 90°
• β: 99.43 ± 0.03°
• γ: 90°
• Cell volume: 945.4 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes