Information card for entry 2220660

Structure parameters

• Common name: Triphenylpyrazine
• Chemical name: 2,3,5-Triphenylpyrazine
• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• SMILES: n1c(c(nc(c1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,3,5-Triphenylpyrazine
• Authors of publication: Anuradha, N.; Thiruvalluvar, A.; Pandiarajan, K.; Chitra, S.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o106
• a: 15.563 ± 0.002 Å
• b: 6.2005 ± 0.0009 Å
• c: 16.845 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes