Information card for entry 2241298

Structure parameters

• Chemical name: 1,3-Bis(2,3-dimethylquinoxalin-6-yl)benzene
• Formula: C26 H22 N4
• Calculated formula: C26 H22 N4
• SMILES: c1c(cccc1c1cc2nc(c(nc2cc1)C)C)c1cc2nc(C)c(nc2cc1)C
• Title of publication: Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene
• Authors of publication: Diesendruck, Charles E.; Rubin, Gabrielle; Bertke, Jeffery A.; Gray, Danielle L.; Moore, Jeffrey S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1429 - 1432
• a: 6.828 ± 0.003 Å
• b: 11.837 ± 0.005 Å
• c: 24.079 ± 0.011 Å
• α: 90°
• β: 91.902 ± 0.005°
• γ: 90°
• Cell volume: 1945.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes