Information card for entry 7154765

Structure parameters

• Formula: C24 H20 Br N O2
• Calculated formula: C24 H20 Br N O2
• SMILES: Br/C(=C(C(c1ccccc1)c1ccccc1)\c1ccccc1)N1C(=O)OCC1
• Title of publication: Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.
• Authors of publication: Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 564 - 569
• a: 15.3958 ± 0.0019 Å
• b: 9.1841 ± 0.0011 Å
• c: 16.013 ± 0.002 Å
• α: 90°
• β: 116.983 ± 0.002°
• γ: 90°
• Cell volume: 2017.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No