Information card for entry 2216263

Structure parameters

• Chemical name: 6-Bromo-3-(dibromoacetyl)-2<i>H</i>-chromen-2-one
• Formula: C11 H5 Br3 O3
• Calculated formula: C11 H5 Br3 O3
• SMILES: BrC(Br)C(=O)c1cc2cc(Br)ccc2oc1=O
• Title of publication: 6-Bromo-3-(dibromoacetyl)-2<i>H</i>-chromen-2-one
• Authors of publication: Deepak Chopra; K. N. Venugopala; G. K. Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4872 - o4872
• a: 7.999 ± 0.006 Å
• b: 6.794 ± 0.005 Å
• c: 22.442 ± 0.017 Å
• α: 90°
• β: 95.819 ± 0.012°
• γ: 90°
• Cell volume: 1213.3 ± 1.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.1133
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes