Information card for entry 2228418

Structure parameters

• Chemical name: 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium triiodide
• Formula: C27 H39 I3 N2
• Calculated formula: C27 H39 I3 N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N+]1=CN(c2c(cccc2C(C)C)C(C)C)CC1.I[I-]I
• Title of publication: 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium triiodide
• Authors of publication: Ikhile, Monisola I.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3121
• a: 18.0288 ± 0.0005 Å
• b: 15.4554 ± 0.0005 Å
• c: 13.8457 ± 0.0006 Å
• α: 90°
• β: 129.456 ± 0.001°
• γ: 90°
• Cell volume: 2978.81 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes