Information card for entry 2217094

Structure parameters

• Chemical name: 2,3-Bis(4-bromophenyl)quinoxaline
• Formula: C20 H12 Br2 N2
• Calculated formula: C20 H12 Br2 N2
• SMILES: Brc1ccc(cc1)c1nc2ccccc2nc1c1ccc(Br)cc1
• Title of publication: 2,3-Bis(4-bromophenyl)quinoxaline
• Authors of publication: Fang-Fang Jian; Ke-Fei Wang; Rui-Rui Zhuang; Hai-Lian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o76 - o76
• a: 6.083 ± 0.0012 Å
• b: 12.018 ± 0.002 Å
• c: 12.323 ± 0.003 Å
• α: 105.47 ± 0.03°
• β: 91.89 ± 0.03°
• γ: 97.47 ± 0.03°
• Cell volume: 858.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes