Information card for entry 2215353

Structure parameters

• Chemical name: 2,3-Bis(3-nitrophenyl)quinoxaline
• Formula: C20 H12 N4 O4
• Calculated formula: C20 H12 N4 O4
• SMILES: O=N(=O)c1cc(ccc1)c1nc2ccccc2nc1c1cccc(N(=O)=O)c1
• Title of publication: 2,3-Bis(3-nitrophenyl)quinoxaline
• Authors of publication: Lei, Peng; Hu, Zhi-Zhi; Wang, Cui-Ping; Chen, Xing; Zhang, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3969 - o3969
• a: 12.807 ± 0.003 Å
• b: 7.616 ± 0.0015 Å
• c: 34.43 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3358.2 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes