Information card for entry 2233781

Structure parameters

• Chemical name: 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate
• Formula: C23 H27 N O7 S
• Calculated formula: C23 H27 N O7 S
• Title of publication: 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Anantapong, Teerasak; Boonnak, Nawong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o898 - o899
• a: 11.2458 ± 0.0004 Å
• b: 13.5995 ± 0.0005 Å
• c: 15.3604 ± 0.0006 Å
• α: 73.345 ± 0.002°
• β: 84.623 ± 0.002°
• γ: 82.842 ± 0.002°
• Cell volume: 2228.92 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes