Information card for entry 2001733

Structure parameters

• Chemical name: 1,4-bis(4'-chlorobenzoyl)-2,3,5,6-tetramethylbenzene
• Formula: C24 H20 Cl2 O2
• Calculated formula: C24 H20 Cl2 O2
• SMILES: O=C(c1c(C)c(C)c(c(c1C)C)C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: 1,4-Bis(4-chlorobenzoyl)-2,3,5,6-tetramethylbenzene
• Authors of publication: Ferguson, G.; Patterson, K. H.; Smith, D. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 190 - 192
• a: 8.1456 ± 0.0019 Å
• b: 10.83 ± 0.003 Å
• c: 6.0122 ± 0.001 Å
• α: 103.99 ± 0.019°
• β: 97.88 ± 0.013°
• γ: 80.76 ± 0.013°
• Cell volume: 505.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.89
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No