Information card for entry 2213652

Structure parameters

• Chemical name: 2,3-bis(4-bromophenyl)quinoxaline
• Formula: C20 H12 Br2 N2
• Calculated formula: C20 H12 Br2 N2
• SMILES: Brc1cc(c2nc3c(nc2c2cccc(Br)c2)cccc3)ccc1
• Title of publication: 2,3-Bis(4-bromophenyl)quinoxaline
• Authors of publication: Bo Zhang; Xiao-Chun Chen; Xing Chen; Cui-Ping Wang; Zhi-Qiang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3013 - o3013
• a: 13.5822 ± 0.0017 Å
• b: 7.6918 ± 0.0013 Å
• c: 16.482 ± 0.003 Å
• α: 90°
• β: 104.752 ± 0.009°
• γ: 90°
• Cell volume: 1665.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes