Information card for entry 2229062

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
• Formula: C15 H8 Cl4 O
• Calculated formula: C15 H8 Cl4 O
• SMILES: Clc1ccc(cc1)/C=C/C(=O)c1c(Cl)c(Cl)c(Cl)cc1
• Title of publication: (<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Yeap, Chin Sing; Prasad, D. Jagadeesh; Nayak, Suresh P.; Laxmana, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o241
• a: 3.8879 ± 0.0002 Å
• b: 6.751 ± 0.0003 Å
• c: 13.7788 ± 0.0005 Å
• α: 97.62 ± 0.002°
• β: 96.177 ± 0.002°
• γ: 92.017 ± 0.002°
• Cell volume: 355.93 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes