Information card for entry 2228415

Structure parameters

• Chemical name: 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium iodide
• Formula: C17 H20 I N O3
• Calculated formula: C17 H20 I N O3
• SMILES: [I-].O(c1c(/C=C/c2[n+](cccc2)C)cc(OC)c(OC)c1)C
• Title of publication: 1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium iodide
• Authors of publication: Mueangkeaw, Charoensak; Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3098 - o3099
• a: 8.9109 ± 0.0001 Å
• b: 10.3551 ± 0.0001 Å
• c: 10.8201 ± 0.0002 Å
• α: 113.382 ± 0.001°
• β: 109.243 ± 0.001°
• γ: 96.831 ± 0.001°
• Cell volume: 828.51 ± 0.02 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: 0.0283
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes