Information card for entry 4514570

Structure parameters

• Formula: C65 H61 N5
• Calculated formula: C65 H61 N5
• SMILES: CC(c1ccc2c(c3c(ccc(c3)C(C)(C)C)n2c2c(c(ccc2)n2c3ccc(C(C)(C)C)cc3c3c2ccc(C(C)(C)C)c3)c2c(c(c3ccccc3)nc(c2C#N)c2ccccc2)C#N)c1)(C)C
• Title of publication: Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.
• Authors of publication: Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 21042 - 21048
• a: 13.0254 ± 0.0007 Å
• b: 13.0272 ± 0.0008 Å
• c: 16.4926 ± 0.001 Å
• α: 91.223 ± 0.003°
• β: 102.951 ± 0.002°
• γ: 106.442 ± 0.003°
• Cell volume: 2605 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No