Information card for entry 2227676

Structure parameters

• Chemical name: 2-[(<i>E</i>)-4-(Diethylamino)styryl]-1-methylpyridinium iodide
• Formula: C18 H23 I N2
• Calculated formula: C18 H23 I N2
• SMILES: [I-].[n+]1(ccccc1/C=C/c1ccc(N(CC)CC)cc1)C
• Title of publication: 2-[(<i>E</i>)-4-(Diethylamino)styryl]-1-methylpyridinium iodide
• Authors of publication: Kaewmanee, Narissara; Chanawanno, Kullapa; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2639 - o2640
• a: 7.7099 ± 0.0001 Å
• b: 20.278 ± 0.0004 Å
• c: 10.9375 ± 0.0002 Å
• α: 90°
• β: 92.527 ± 0.001°
• γ: 90°
• Cell volume: 1708.32 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.024
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes