Information card for entry 2223866

Structure parameters

• Chemical name: (<i>E</i>)-1-Methyl-4-styrylpyridinium iodide monohydrate
• Formula: C14 H16 I N O
• Calculated formula: C14 H16 I N O
• SMILES: [I-].O.[n+]1(ccc(cc1)/C=C/c1ccccc1)C
• Title of publication: (<i>E</i>)-1-Methyl-4-styrylpyridinium iodide monohydrate
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Surasit, Chanasuk; Chanawanno, Kullapa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2676 - o2677
• a: 7.3636 ± 0.0001 Å
• b: 10.5929 ± 0.0001 Å
• c: 18.2807 ± 0.0002 Å
• α: 90°
• β: 106.77 ± 0.001°
• γ: 90°
• Cell volume: 1365.29 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0286
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes