Information card for entry 2223675

Structure parameters

• Chemical name: Bis[(<i>E</i>)-1-methyl-4-styrylpyridinium] 4-chlorobenzenesulfonate iodide
• Formula: C34 H32 Cl I N2 O3 S
• Calculated formula: C34 H32 Cl I N2 O3 S
• SMILES: [I-].Clc1ccc(S(=O)(=O)[O-])cc1.[n+]1(ccc(/C=C/c2ccccc2)cc1)C.[n+]1(ccc(/C=C/c2ccccc2)cc1)C
• Title of publication: Bis[(<i>E</i>)-1-methyl-4-styrylpyridinium] 4-chlorobenzenesulfonate iodide
• Authors of publication: Fun, Hoong-Kun; Surasit, Chanasuk; Chanawanno, Kullapa; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2633 - o2634
• a: 8.1103 ± 0.0001 Å
• b: 20.5054 ± 0.0003 Å
• c: 9.5549 ± 0.0002 Å
• α: 90°
• β: 101.799 ± 0.001°
• γ: 90°
• Cell volume: 1555.45 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes