Information card for entry 7238635

Structure parameters

• Formula: C16 H14 Br2 N2 O4
• Calculated formula: C16 H14 Br2 N2 O4
• Title of publication: Highly regioselective aminobromination of α,β-unsaturated nitro compounds with benzyl carbamate/N-bromosuccinimide as nitrogen/bromine source
• Authors of publication: Ji, Xiaoyun; Duan, Zhiqiang; Qian, Yu; Han, Jianlin; Li, Guigen; Pan, Yi
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 13
• Pages of publication: 5565
• a: 25.383 ± 0.008 Å
• b: 21.318 ± 0.007 Å
• c: 15.956 ± 0.005 Å
• α: 90°
• β: 123.863 ± 0.004°
• γ: 90°
• Cell volume: 7169 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No