Information card for entry 2228768

Structure parameters

• Chemical name: (<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
• Formula: C45 H48 Br2 N2 O9 S2
• Calculated formula: C45 H48 Br2 N2 O9 S2
• Title of publication: (<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate
• Authors of publication: Fun, Hoong Kun; Chantrapromma, Suchada; Jansrisewangwong, Patcharaporn
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o105 - o106
• a: 9.927 ± 0.0004 Å
• b: 9.9813 ± 0.0004 Å
• c: 11.5293 ± 0.0004 Å
• α: 75.703 ± 0.002°
• β: 76.965 ± 0.002°
• γ: 88.395 ± 0.002°
• Cell volume: 1078 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes