Information card for entry 2217052

Structure parameters

• Chemical name: 2,2,3,3'-Tetraphenyl-7,7'-biquinoxaline
• Formula: C40 H26 N4
• Calculated formula: C40 H26 N4
• SMILES: c1ccc(cc1)c1nc2cc(ccc2nc1c1ccccc1)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1
• Title of publication: 2,2,3,3'-Tetraphenyl-7,7'-biquinoxaline
• Authors of publication: Dueno, Eric E.; Gibson, Ricky Joseph Paul; Salvatore, Ralph Nicholas; Pike, Robert D.; Zambrano, Cesar H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o110 - o111
• a: 5.7024 ± 0.0001 Å
• b: 9.9534 ± 0.0002 Å
• c: 12.9785 ± 0.0003 Å
• α: 105.352 ± 0.001°
• β: 96.617 ± 0.001°
• γ: 91.751 ± 0.001°
• Cell volume: 704.19 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes