Information card for entry 2001475

Structure parameters

• Chemical name: 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine
• Formula: C30 H20 N6
• Calculated formula: C30 H20 N6
• SMILES: c1ccc(cc1)c1nc(nnc1c1ccccc1)c1nnc(c(n1)c1ccccc1)c1ccccc1
• Title of publication: Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine
• Authors of publication: Breu, J.; Range, K.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1541 - 1543
• a: 27.699 ± 0.003 Å
• b: 27.699 ± 0.003 Å
• c: 6.169 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4733.1 ± 1.1 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.034
• Diffraction radiation wavelength: 1.54185 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No