Information card for entry 2222631

Structure parameters

• Chemical name: 1,1'-Dimethyl-4,4'-(2,4-di-1-naphthylcyclobutane-1,3-diyl)dipyridinium‒(<i>E</i>)-1-methyl-4-[2-(1-naphthyl)vinyl]pyridinium‒4-aminobenzenesulfonate‒water (0.25/1.50/2/2)
• Formula: C48 H48 N4 O8 S2
• Calculated formula: C48 H48 N4 O8 S2
• Title of publication: 1,1'-Dimethyl-4,4'-(2,4-di-1-naphthylcyclobutane-1,3-diyl)dipyridinium‒(<i>E</i>)-1-methyl-4-[2-(1-naphthyl)vinyl]pyridinium‒4-aminobenzenesulfonate‒water (0.25/1.50/2/2)
• Authors of publication: Fun, Hoong-Kun; Chanawanno, Kullapa; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2048 - o2049
• a: 6.6352 ± 0.0004 Å
• b: 14.8824 ± 0.0008 Å
• c: 20.9347 ± 0.0013 Å
• α: 90°
• β: 97.921 ± 0.003°
• γ: 90°
• Cell volume: 2047.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes