Information card for entry 2210385

Structure parameters

• Common name: Pyridoxinium Nitrate
• Chemical name: Pyridoxinium nitrate
• Formula: C8 H12 N2 O6
• Calculated formula: C8 H12 N2 O6
• SMILES: [nH+]1c(C)c(O)c(CO)c(CO)c1.N(=O)(=O)[O-]
• Title of publication: Pyridoxinium nitrate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4027 - o4029
• a: 18.681 ± 0.0011 Å
• b: 9.043 ± 0.0007 Å
• c: 13.695 ± 0.0009 Å
• α: 90°
• β: 117.046 ± 0.009°
• γ: 90°
• Cell volume: 2060.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes