Information card for entry 2229544

Structure parameters

• Common name: 1,3-bis(3-benzylimidazolium-1-ylmethyl)mesitylene dibromide
• Chemical name: 3,3'-Dibenzyl-1,1'-(2,4,6-trimethyl-<i>m</i>- phenylenedimethylene)diimidazol-3-ium dibromide
• Formula: C31 H34 Br2 N4
• Calculated formula: C31 H34 Br2 N4
• SMILES: n1(Cc2ccccc2)cc[n+](c1)Cc1c(c(c(cc1C)C)Cn1c[n+](cc1)Cc1ccccc1)C.[Br-].[Br-]
• Title of publication: 3,3'-Dibenzyl-1,1'-(2,4,6-trimethyl-<i>m</i>-phenylenedimethylene)diimidazol-3-ium dibromide
• Authors of publication: Haque, Rosenani A.; Salman, Abbas Washeel; Nadarajan, Paremala; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o643
• a: 8.9851 ± 0.0002 Å
• b: 12.8044 ± 0.0002 Å
• c: 25.6419 ± 0.0005 Å
• α: 90°
• β: 102.611 ± 0.001°
• γ: 90°
• Cell volume: 2878.9 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0601
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes