Information card for entry 2108254

Structure parameters

• Chemical name: 2,4,6-tris((E)-2-(4-(dimethylamino)phenyl)ethenyl)-1,3,5-triazine
• Formula: C33 H36 N6
• Calculated formula: C33 H36 N6
• SMILES: c1(/C=C/c2ccc(cc2)N(C)C)nc(nc(n1)/C=C/c1ccc(cc1)N(C)C)/C=C/c1ccc(cc1)N(C)C
• Title of publication: Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction
• Authors of publication: Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 287 - 294
• a: 54.631 ± 0.003 Å
• b: 8.004 ± 0.0002 Å
• c: 6.5754 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2875.2 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 0.965782
• Goodness-of-fit parameter for all reflections: 1.2092
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No