Information card for entry 2015409

Structure parameters

• Common name: Pyridoxinium picrate
• Chemical name: 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium 2,4,6-trinitrophenolate
• Formula: C14 H14 N4 O10
• Calculated formula: C14 H14 N4 O10
• Title of publication: Pyridoxinium picrate
• Authors of publication: K. Anitha; S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o426 - o428
• a: 8.094 ± 0.002 Å
• b: 8.522 ± 0.003 Å
• c: 12.847 ± 0.005 Å
• α: 87.2 ± 0.02°
• β: 85.7 ± 0.01°
• γ: 65.92 ± 0.02°
• Cell volume: 806.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes