Information card for entry 2236118

Structure parameters

• Chemical name: 2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate
• Formula: C16 H10 Br2 O3
• Calculated formula: C16 H10 Br2 O3
• SMILES: O(c1c(Br)cc(cc1Br)C=O)C(=O)/C=C/c1ccccc1
• Title of publication: 2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate
• Authors of publication: Suresh Kumar, C.; Jagadeesan, G.; Dhamodaran, S.; Ananth, Karthik; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2873
• a: 8.0846 ± 0.0003 Å
• b: 9.0149 ± 0.0004 Å
• c: 11.8995 ± 0.0005 Å
• α: 77.429 ± 0.002°
• β: 73.918 ± 0.002°
• γ: 70.236 ± 0.002°
• Cell volume: 776.82 ± 0.06 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: 0.0819
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes