Information card for entry 2234308

Structure parameters

• Chemical name: 1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl- 1<i>H</i>-imidazole
• Formula: C30 H25 Cl N2
• Calculated formula: C30 H25 Cl N2
• SMILES: ClC[C@@H](n1c(c(nc1c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: 1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl-1<i>H</i>-imidazole
• Authors of publication: Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1153
• a: 9.6123 ± 0.0004 Å
• b: 9.9437 ± 0.0003 Å
• c: 24.9677 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.46 ± 0.14 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: 0.0655
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes