Information card for entry 1572442

Structure parameters

• Common name: Pyridinium tosylate
• Chemical name: Pyridinium 4-methylbenzenesulfonate
• Formula: C12 H13 N O3 S
• Calculated formula: C12 H13 N O3 S
• Title of publication: Pyridinium tosylate
• Authors of publication: Hosten, Eric Cyriel; Betz, Richard
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 8
• a: 5.8868 ± 0.0002 Å
• b: 8.8927 ± 0.0004 Å
• c: 22.8226 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1194.75 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No