Information card for entry 2225380

Structure parameters

• Common name: 4-[((1<i>E</i>,3<i>E</i>)-4-phenylbuta-1,3-dienyl)]-1-methylpyridinium iodide monohydrate
• Chemical name: 1-Methyl-4-[(1<i>E</i>,3<i>E</i>)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
• Formula: C16 H18 I N O
• Calculated formula: C16 H18 I N O
• Title of publication: 1-Methyl-4-[(1<i>E</i>,3<i>E</i>)-4-phenylbuta-1,3-dienyl]pyridinium iodide monohydrate
• Authors of publication: Fun, Hoong-Kun; Chanawanno, Kullapa; Surasit, Chanasuk; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o651 - o652
• a: 32.56 ± 0.0006 Å
• b: 12.6414 ± 0.0002 Å
• c: 16.5602 ± 0.0003 Å
• α: 90°
• β: 111.18 ± 0.001°
• γ: 90°
• Cell volume: 6355.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes