Information card for entry 2209143

Structure parameters

• Chemical name: 3-(3-Bromophenyl)-1-(4-bromophenyl)prop-2-en-1-one
• Formula: C15 H10 Br2 O
• Calculated formula: C15 H10 Br2 O
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1cc(Br)ccc1
• Title of publication: 3-(3-Bromophenyl)-1-(4-bromophenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2399 - o2400
• a: 7.1411 ± 0.0002 Å
• b: 31.4292 ± 0.0008 Å
• c: 5.7876 ± 0.0002 Å
• α: 90°
• β: 91.275 ± 0.002°
• γ: 90°
• Cell volume: 1298.64 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0573
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes