Information card for entry 1556734

Structure parameters

• Chemical name: 2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol
• Formula: C31 H24 Br2 Cl2 N2 O
• Calculated formula: C31 H24 Br2 Cl2 N2 O
• SMILES: c1(n(c(c(c2ccc(cc2)Br)n1)c1ccc(Br)cc1)c1ccc(cc1)C(C)(C)C)c1cc(Cl)cc(Cl)c1O
• Title of publication: 2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol
• Authors of publication: Devika, S.; Shraddha, K. N.; Begum, Noor Shahina
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191672
• a: 17.7619 ± 0.0005 Å
• b: 12.7435 ± 0.0004 Å
• c: 28.2194 ± 0.0008 Å
• α: 90°
• β: 102.478 ± 0.002°
• γ: 90°
• Cell volume: 6236.5 ± 0.3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes