Information card for entry 2208721

Structure parameters

• Chemical name: 1,3-Bis(4-bromophenyl)prop-2-en-1-one
• Formula: C15 H10 Br2 O
• Calculated formula: C15 H10 Br2 O
• SMILES: Brc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
• Title of publication: 1,3-Bis(4-bromophenyl)prop-2-en-1-one
• Authors of publication: Shea-Lin Ng; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; Venkataraya Shettigar; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1421 - o1423
• a: 15.7504 ± 0.0005 Å
• b: 13.9442 ± 0.0005 Å
• c: 5.8289 ± 0.0002 Å
• α: 90°
• β: 92.034 ± 0.002°
• γ: 90°
• Cell volume: 1279.38 ± 0.08 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: 0.0747
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes