Information card for entry 2213969

Structure parameters

• Chemical name: 3-Dibromoacetyl-2H-chromen-2-one
• Formula: C11 H6 Br2 O3
• Calculated formula: C11 H6 Br2 O3
• SMILES: BrC(Br)C(=O)c1cc2ccccc2oc1=O
• Title of publication: 3-Dibromoacetyl-2<i>H</i>-chromen-2-one
• Authors of publication: Deepak Chopra; K. N. Venugopala; G. K. Rao; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2826 - o2826
• a: 7.1998 ± 0.0017 Å
• b: 8.969 ± 0.002 Å
• c: 9.722 ± 0.002 Å
• α: 69.094 ± 0.005°
• β: 85.974 ± 0.006°
• γ: 71.177 ± 0.004°
• Cell volume: 554.4 ± 0.2 ų
• Cell temperature: 2930 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes