Information card for entry 2222812

Structure parameters

• Chemical name: Pyridinium 4-(trifluoromethyl)benzenesulfonate
• Formula: C12 H10 F3 N O3 S
• Calculated formula: C12 H10 F3 N O3 S
• Title of publication: Pyridinium 4-(trifluoromethyl)benzenesulfonate
• Authors of publication: Chen, Gang; Xu, Wei; Yang, Zhen; Fan, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1797
• a: 5.7905 ± 0.0005 Å
• b: 9.0294 ± 0.0007 Å
• c: 24.988 ± 0.002 Å
• α: 90°
• β: 90.822 ± 0.001°
• γ: 90°
• Cell volume: 1306.36 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No