Information card for entry 2218913

Structure parameters

• Chemical name: 4-(4-Nitrobenzenesulfonamido)pyridinium trifluoroacetate
• Formula: C13 H10 F3 N3 O6 S
• Calculated formula: C13 H10 F3 N3 O6 S
• Title of publication: 4-(4-Nitrobenzenesulfonamido)pyridinium trifluoroacetate
• Authors of publication: Li, Jiang-Sheng; Fan, Mei-Lian; Li, Wen-Sheng; Liu, Wei-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1513
• a: 5.662 ± 0.002 Å
• b: 17.497 ± 0.007 Å
• c: 16.173 ± 0.006 Å
• α: 90°
• β: 96.595 ± 0.007°
• γ: 90°
• Cell volume: 1591.6 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes