Information card for entry 8106005

Structure parameters

• Formula: C33 H28 N10 O
• Calculated formula: C33 H28 N10 O
• SMILES: O=CN(C)C.n1c(nc(nc1c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1
• Title of publication: The crystal structure of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine — dimethylformamide (1/1), C33H28N10O
• Authors of publication: Cui, Hao; Yan, Xin-Ting; Chen, Wenya; Yang, Tao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1275 - 1278
• a: 14.7148 ± 0.0009 Å
• b: 15.5185 ± 0.001 Å
• c: 16.1128 ± 0.0009 Å
• α: 113.219 ± 0.006°
• β: 96.735 ± 0.005°
• γ: 115.259 ± 0.006°
• Cell volume: 2872 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No