Information card for entry 2201821

Structure parameters

• Chemical name: Tribromoacetic acid
• Formula: C2 H Br3 O2
• Calculated formula: C2 H Br3 O2
• SMILES: BrC(Br)(Br)C(=O)O
• Title of publication: Tribromoacetic acid
• Authors of publication: Jones, Peter G.; Lozano, Virginia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o619 - o621
• a: 11.1679 ± 0.0012 Å
• b: 5.7966 ± 0.0006 Å
• c: 19.821 ± 0.002 Å
• α: 90°
• β: 103.132 ± 0.004°
• γ: 90°
• Cell volume: 1249.6 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes