Information card for entry 2212173

Structure parameters

• Chemical name: 3-carboxy-2-(2,6-dimethylphenylamino)pyridinium 2,2,2-trifluoroacetate
• Formula: C16 H15 F3 N2 O4
• Calculated formula: C16 H15 F3 N2 O4
• Title of publication: 3-Carboxy-2-(2,6-dimethylphenylamino)pyridinium trifluoroacetate
• Authors of publication: Long, Sihui; Parkin, Sean; Li, Tonglei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o906 - o907
• a: 8.1899 ± 0.0002 Å
• b: 8.714 ± 0.0002 Å
• c: 11.4579 ± 0.0003 Å
• α: 91.0513 ± 0.0011°
• β: 102.635 ± 0.0011°
• γ: 92.0117 ± 0.0012°
• Cell volume: 797.13 ± 0.03 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes