Information card for entry 2203894

Structure parameters

• Chemical name: 2-[4-(Dimethylamino)phenyl]-4,5-diphenyl-1H-imidazole isopropyl alcohol solvate
• Formula: C26 H29 N3 O
• Calculated formula: C26 H29 N3 O
• SMILES: OC(C)C.n1c([nH]c(c1c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1
• Title of publication: 2-[4-(Dimethylamino)phenyl]-4,5-diphenyl-1<i>H</i>-imidazole isopropanol solvate
• Authors of publication: Martinez, Hassan; Puschmann, Horst; Howard, Judith A.K.; Acevedo, Jorge; Au-Alvarez, Oscar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1229 - o1230
• a: 8.764 ± 0.012 Å
• b: 12.087 ± 0.014 Å
• c: 21.07 ± 0.04 Å
• α: 97.48 ± 0.09°
• β: 93.12 ± 0.1°
• γ: 91.89 ± 0.1°
• Cell volume: 2208 ± 6 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes