Information card for entry 1545558

Structure parameters

• Chemical name: 6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one
• Formula: C11 H5 Br2 Cl O3
• Calculated formula: C11 H5 Br2 Cl O3
• SMILES: BrC(Br)C(=O)c1c(=O)oc2c(c1)cc(Cl)cc2
• Title of publication: 6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one
• Authors of publication: Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170356
• a: 7.9086 ± 0.0016 Å
• b: 6.7115 ± 0.001 Å
• c: 22.64 ± 0.003 Å
• α: 90°
• β: 96.744 ± 0.016°
• γ: 90°
• Cell volume: 1193.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes