Information card for entry 2238920

Structure parameters

• Chemical name: (<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole
• Formula: C34 H28 N2 S2
• Calculated formula: C34 H28 N2 S2
• SMILES: c1ccc(cc1)C[C@H](n1c(nc(c1c1ccccc1)c1ccccc1)c1cccs1)CSc1ccccc1
• Title of publication: (<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole
• Authors of publication: Gao, Jie; Wang, Hongyan; Yang, Liangru; Xiao, Yongmei; Mao, Pu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1858
• a: 12.7882 ± 0.0007 Å
• b: 13.7906 ± 0.0006 Å
• c: 16.0636 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2832.9 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No