Information card for entry 2218361

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Chlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
• Formula: C16 H13 Cl O
• Calculated formula: C16 H13 Cl O
• SMILES: Clc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1-(4-Chlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1038
• a: 15.2632 ± 0.0003 Å
• b: 14.0146 ± 0.0003 Å
• c: 5.8487 ± 0.0001 Å
• α: 90°
• β: 92.154 ± 0.001°
• γ: 90°
• Cell volume: 1250.2 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0906
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes