Information card for entry 2221803

Structure parameters

• Chemical name: (<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-bromobenzenesulfonate
• Formula: C24 H20 Br N O3 S
• Calculated formula: C24 H20 Br N O3 S
• Title of publication: (<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-bromobenzenesulfonate
• Authors of publication: Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1144 - o1145
• a: 12.2195 ± 0.0002 Å
• b: 21.9907 ± 0.0004 Å
• c: 7.6256 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes