Information card for entry 7126413

Structure parameters

• Formula: C53 H46 N4
• Calculated formula: C53 H46 N4
• Title of publication: Rotation-restricted thermally activated delayed fluorescence compounds for efficient solution-processed OLEDs with EQEs of up to 24.3% and small roll-off.
• Authors of publication: Li, Kuofei; Zhu, Yunhui; Yao, Bing; Chen, Yuannan; Deng, Hao; Zhang, Qisheng; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 44
• Pages of publication: 5957 - 5960
• a: 11.7669 ± 0.001 Å
• b: 12.1939 ± 0.001 Å
• c: 15.1362 ± 0.0012 Å
• α: 102.506 ± 0.002°
• β: 97.611 ± 0.002°
• γ: 102.676 ± 0.002°
• Cell volume: 2031.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1327
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No