Information card for entry 2201584

Structure parameters

• Formula: C24 H14 N2
• Calculated formula: C24 H14 N2
• SMILES: n1c(c(nc2c(ccc(c12)C#C)C#C)c1ccccc1)c1ccccc1
• Title of publication: 5,8-Diethynyl-2,3-diphenylquinoxaline
• Authors of publication: Khan, Muhammad S.; Ahrens, Birte; Mahon, Mary F.; Male, Louise; Raithby, Paul R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1258 - o1260
• a: 9.87 ± 0.003 Å
• b: 5.8527 ± 0.0009 Å
• c: 14.888 ± 0.003 Å
• α: 90°
• β: 93.924 ± 0.009°
• γ: 90°
• Cell volume: 858 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes