Information card for entry 2238647

Structure parameters

• Chemical name: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate
• Formula: C28 H31 F N2 O4 S
• Calculated formula: C28 H31 F N2 O4 S
• Title of publication: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate
• Authors of publication: Fun, Hoong-Kun; Kaewmanee, Narissara; Chanawanno, Kullapa; Boonnak, Nawong; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1510 - o1511
• a: 13.366 ± 0.002 Å
• b: 10.2326 ± 0.0017 Å
• c: 19.891 ± 0.003 Å
• α: 90°
• β: 113.004 ± 0.008°
• γ: 90°
• Cell volume: 2504.1 ± 0.7 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: 0.0763
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No