Information card for entry 2234159

Structure parameters

• Chemical name: 4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate
• Formula: C22 H23 N3 O5 S
• Calculated formula: C22 H23 N3 O5 S
• Title of publication: 4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate
• Authors of publication: Li, Liang; Dai, Yiqiang; Jin, Yun; Yang, Huai; Yang, Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o994
• a: 18.901 ± 0.003 Å
• b: 6.4504 ± 0.001 Å
• c: 34.222 ± 0.006 Å
• α: 90°
• β: 96.77 ± 0.03°
• γ: 90°
• Cell volume: 4143.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0928
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes