Information card for entry 2213695

Structure parameters

• Common name: Pyridoxinium trichloroacetate
• Chemical name: Pyridoxinium trichloroacetate
• Formula: C10 H12 Cl3 N O5
• Calculated formula: C10 H12 Cl3 N O5
• Title of publication: Pyridoxinium trichloroacetate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2916 - o2917
• a: 5.8552 ± 0.0005 Å
• b: 17.1467 ± 0.0015 Å
• c: 14.0988 ± 0.001 Å
• α: 90°
• β: 97.948 ± 0.017°
• γ: 90°
• Cell volume: 1401.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes