Information card for entry 2201332

Structure parameters

• Chemical name: 1-Benzyl-4,5-diphenyl-3-vinylimidazolium bromide
• Formula: C24 H21 Br N2
• Calculated formula: C24 H21 Br N2
• SMILES: [Br-].n1(c(c(c2ccccc2)[n+](c1)C=C)c1ccccc1)Cc1ccccc1
• Title of publication: 1-Benzyl-4,5-diphenyl-3-vinylimidazolium bromide
• Authors of publication: Robert T. Stibrany; Joseph A. Potenza; Harvey J. Schugar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o848 - o850
• a: 10.883 ± 0.002 Å
• b: 9.44 ± 0.002 Å
• c: 11.21 ± 0.002 Å
• α: 90°
• β: 111.07 ± 0.01°
• γ: 90°
• Cell volume: 1074.7 ± 0.4 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes