Information card for entry 2226143

Structure parameters

• Chemical name: 1-(4-Bromophenyl)-3-(3,4-dimethylphenyl)prop-2-en-1-one
• Formula: C17 H15 Br O
• Calculated formula: C17 H15 Br O
• SMILES: Brc1ccc(C(=O)/C=C/c2cc(c(cc2)C)C)cc1
• Title of publication: 1-(4-Bromophenyl)-3-(3,4-dimethylphenyl)prop-2-en-1-one
• Authors of publication: Zhou, Yu-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1412
• a: 5.9786 ± 0.0014 Å
• b: 7.8437 ± 0.0019 Å
• c: 15.744 ± 0.004 Å
• α: 99.054 ± 0.004°
• β: 99.602 ± 0.004°
• γ: 95.659 ± 0.004°
• Cell volume: 713 ± 0.3 ų
• Cell temperature: 298 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes