Information card for entry 2224418

Structure parameters

• Chemical name: 1-(4-<i>tert</i>-Butylbenzyl)-2-(4-<i>tert</i>-butylphenyl)-1<i>H</i>- benzimidazole
• Formula: C28 H32 N2
• Calculated formula: C28 H32 N2
• SMILES: CC(c1ccc(cc1)Cn1c(nc2c1cccc2)c1ccc(cc1)C(C)(C)C)(C)C
• Title of publication: 1-(4-<i>tert</i>-Butylbenzyl)-2-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Zhou, Jian-Cheng; Zhang, Zheng-Yun; Li, Nai-Xu; Zhang, Chuan-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3019
• a: 6.2142 ± 0.0005 Å
• b: 21.1112 ± 0.0013 Å
• c: 17.4624 ± 0.0012 Å
• α: 90°
• β: 92.869 ± 0.006°
• γ: 90°
• Cell volume: 2288 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes