Information card for entry 7238962

Structure parameters

• Formula: C15 H11 Br2 Cl O
• Calculated formula: C15 H11 Br2 Cl O
• Title of publication: N-Bromosuccinimide‒carboxylic acid combination: mild and efficient access to dibromination of unsaturated carbonyl compounds
• Authors of publication: Xue, Hongxun; Tan, Hui; Wei, Donglei; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhao, Baozhong
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 5382
• a: 5.871 ± 0.005 Å
• b: 16.844 ± 0.005 Å
• c: 29.189 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2887 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No