Information card for entry 2229840

Structure parameters

• Common name: 4-Chloro-2',4',6'-triethylbenzophenone
• Chemical name: (4-chlorophenyl)(2,4,6-trimethylphenyl)methanone
• Formula: C19 H21 Cl O
• Calculated formula: C19 H21 Cl O
• SMILES: CCc1cc(CC)cc(c1C(=O)c1ccc(cc1)Cl)CC
• Title of publication: 4-Chloro-2',4',6'-triethylbenzophenone: a redetermination
• Authors of publication: Takahashi, Hiroki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o935
• a: 10.3329 ± 0.0006 Å
• b: 15.8383 ± 0.0008 Å
• c: 10.6876 ± 0.0006 Å
• α: 90°
• β: 111.012 ± 0.0016°
• γ: 90°
• Cell volume: 1632.78 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes