Information card for entry 2227478

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)prop-2-en-1-one
• Formula: C17 H15 Cl O
• Calculated formula: C17 H15 Cl O
• SMILES: Clc1ccc(C(=O)/C=C/c2cc(c(cc2)C)C)cc1
• Title of publication: 1-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)prop-2-en-1-one
• Authors of publication: Guo, Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2302
• a: 5.9621 ± 0.0012 Å
• b: 7.7369 ± 0.0015 Å
• c: 15.513 ± 0.003 Å
• α: 98.3 ± 0.03°
• β: 99.96 ± 0.03°
• γ: 95.23 ± 0.03°
• Cell volume: 692.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0662
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes