Information card for entry 2008582

Structure parameters

• Chemical name: 2,3,5,6-tetraphenylpyrazine (β form)
• Formula: C28 H20 N2
• Calculated formula: C28 H20 N2
• SMILES: c1ccc(cc1)c1nc(c2ccccc2)c(nc1c1ccccc1)c1ccccc1
• Title of publication: Dimorphism of 2,3,5,6-tetraphenylpyrazine
• Authors of publication: Bartnik, Romuald; Faure, René; Gebicki, Krzysztof
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1034 - 1037
• a: 18.654 ± 0.003 Å
• b: 23.509 ± 0.002 Å
• c: 9.576 ± 0.001 Å
• α: 90°
• β: 92.18 ± 0.01°
• γ: 90°
• Cell volume: 4196.4 ± 0.9 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 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 significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No