Information card for entry 2220307

Structure parameters

• Chemical name: 2-Bromo-1,3-diphenylpropan-1,3-dione
• Formula: C15 H11 Br O2
• Calculated formula: C15 H11 Br O2
• SMILES: BrC(C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: 2-Bromo-1,3-diphenylpropan-1,3-dione
• Authors of publication: Arifin, Zainudin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2439
• a: 28.068 ± 0.0006 Å
• b: 5.6508 ± 0.0001 Å
• c: 15.3741 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2438.43 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes