Information card for entry 7126351

Structure parameters

• Formula: C21 H14 Br2 N2
• Calculated formula: C21 H14 Br2 N2
• SMILES: Brc1ccc(C2(N=CC(=N2)c2ccccc2)c2ccc(Br)cc2)cc1
• Title of publication: Copper-catalyzed [2+3]-annulation of N-H imines with vinyl azides: access to polyaryl 2H-imidazoles.
• Authors of publication: Zhu, Zhongzhi; Lin, Hanze; Liang, Baihui; Huang, Junjie; Liang, Wanyi; Chen, Lu; Huang, Yubing; Chen, Xiuwen; Li, Yibiao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5621 - 5624
• a: 28.82 ± 0.009 Å
• b: 13.989 ± 0.003 Å
• c: 18.95 ± 0.005 Å
• α: 90°
• β: 103.355 ± 0.006°
• γ: 90°
• Cell volume: 7433 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1176
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1121
• 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: No