Information card for entry 2226614

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-1-Methyl-2,6-distyrylpyridinium iodide
• Formula: C22 H20 I N
• Calculated formula: C22 H20 I N
• SMILES: [I-].[n+]1(C)c(cccc1/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: (<i>E</i>,<i>E</i>)-1-Methyl-2,6-distyrylpyridinium iodide
• Authors of publication: Penthala, Narsimha Reddy; Eldridge, Joshua; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1793
• a: 18.7309 ± 0.0004 Å
• b: 9.5687 ± 0.0002 Å
• c: 19.9829 ± 0.0004 Å
• α: 90°
• β: 90.279 ± 0.001°
• γ: 90°
• Cell volume: 3581.5 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0206
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes