Information card for entry 2213729

Structure parameters

• Chemical name: 4-(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 0.58-bromide 0.42-iodide
• Formula: C15 H16 Br0.58 I0.42 N O2
• Calculated formula: C15 H16 Br0.58 I0.42 N O2
• Title of publication: 4-(4'-Hydroxy-3'-methoxystyryl)-1-methylpyridinium 0.58-bromide 0.42-iodide
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2882 - o2883
• a: 8.9627 ± 0.0013 Å
• b: 20.721 ± 0.003 Å
• c: 8.0865 ± 0.0012 Å
• α: 90°
• β: 103.304 ± 0.002°
• γ: 90°
• Cell volume: 1461.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes