Information card for entry 7204189

Structure parameters

• Formula: C33 H24 N12
• Calculated formula: C33 H23 N12
• SMILES: n1ccccc1N(c1ncccc1)c1nc(N(c2ncccc2)c2ncccc2)nc(N(c2ncccc2)c2ncccc2)n1
• Title of publication: Syntheses, structures, and electroluminescence of new blue luminescent star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene
• Authors of publication: Pang, Jun; Tao, Ye; Freiberg, Stephan; Yang, Xiao-Ping; D'Iorio, Marie; Wang, Suning
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 206
• a: 12.89 ± 0.004 Å
• b: 19.438 ± 0.006 Å
• c: 12.707 ± 0.004 Å
• α: 90°
• β: 116.38 ± 0.006°
• γ: 90°
• Cell volume: 2852.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4086
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No