Information card for entry 2236380

Structure parameters

• Chemical name: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate
• Formula: C25 H32 N2 O5 S
• Calculated formula: C25 H32 N2 O5 S
• Title of publication: (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate
• Authors of publication: Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Anantapong, Teerasak; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2728 - o2729
• a: 7.443 ± 0.0002 Å
• b: 10.3298 ± 0.0002 Å
• c: 16.3817 ± 0.0004 Å
• α: 91.265 ± 0.001°
• β: 100.794 ± 0.001°
• γ: 102.281 ± 0.001°
• Cell volume: 1206.39 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0827
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes