Information card for entry 2239097

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate
• Formula: C26 H24 F N O4 S
• Calculated formula: C26 H24 F N O4 S
• Title of publication: 2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate
• Authors of publication: Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Quah, Ching Kheng; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o11 - o12
• a: 6.4366 ± 0.0003 Å
• b: 9.8909 ± 0.0005 Å
• c: 34.3628 ± 0.0015 Å
• α: 90°
• β: 95.102 ± 0.002°
• γ: 90°
• Cell volume: 2179 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes