Information card for entry 8105683

Structure parameters

• Formula: C44 H34 N4
• Calculated formula: C44 H34 N4
• SMILES: n1(c(nc(c1c1ccccc1)c1ccccc1)c1ccc(cc1)C)C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
• Authors of publication: Al-Dies, Al-Anood M.; Asiri, Abdullah M.; Khan, Salman A.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 465 - 467
• a: 10.1233 ± 0.0005 Å
• b: 12.1414 ± 0.0007 Å
• c: 13.742 ± 0.0007 Å
• α: 90°
• β: 98.389 ± 0.005°
• γ: 90°
• Cell volume: 1670.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No