Information card for entry 2239280

Structure parameters

• Chemical name: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-fluorobenzenesulfonate monohydrate
• Formula: C28 H31 Cl N2 O4 S
• Calculated formula: C28 H31 Cl N2 O4 S
• Title of publication: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-chlorobenzenesulfonate monohydrate
• Authors of publication: Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o395 - o396
• a: 25.814 ± 0.004 Å
• b: 10.5563 ± 0.0016 Å
• c: 20.333 ± 0.003 Å
• α: 90°
• β: 110.883 ± 0.002°
• γ: 90°
• Cell volume: 5176.8 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes