Information card for entry 2220024

Structure parameters

• Chemical name: 3,3'-Bis(3-methoxybenzyl)-1,1'-ethylenediimidazolium dibromide
• Formula: C24 H28 Br2 N4 O2
• Calculated formula: C24 H28 Br2 N4 O2
• SMILES: c1n(cc[n+]1Cc1cccc(OC)c1)CCn1c[n+](cc1)Cc1cccc(OC)c1.[Br-].[Br-]
• Title of publication: 3,3'-Bis(3-methoxybenzyl)-1,1'-ethylenediimidazolium dibromide
• Authors of publication: Lee, Hon Man; Lu, Chi-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2086
• a: 18.34 ± 0.006 Å
• b: 5.3566 ± 0.0017 Å
• c: 12.34 ± 0.004 Å
• α: 90°
• β: 91.491 ± 0.009°
• γ: 90°
• Cell volume: 1211.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes