Information card for entry 1564917

Structure parameters

• Common name: 4-(3,5-Dichlorophenyl)-N,N-diphenylaniline
• Chemical name: 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine
• Formula: C24 H17 Cl2 N
• Calculated formula: C24 H17 Cl2 N
• SMILES: Clc1cc(Cl)cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
• Title of publication: 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine
• Authors of publication: Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 10
• Pages of publication: x211016
• a: 14.5188 ± 0.0011 Å
• b: 7.7744 ± 0.0007 Å
• c: 18.07 ± 0.0016 Å
• α: 90°
• β: 110.447 ± 0.0018°
• γ: 90°
• Cell volume: 1911.1 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes