Information card for entry 4516237

Structure parameters

• Formula: C57 H62 N4 O2 S
• Calculated formula: C57 H62 N4 O2 S
• Title of publication: The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.
• Authors of publication: Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 10.7041 ± 0.0002 Å
• b: 36.1378 ± 0.0007 Å
• c: 11.916 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4609.38 ± 0.15 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No