Information card for entry 7250121

Structure parameters

• Formula: C38 H23 N5
• Calculated formula: C38 H23 N5
• Title of publication: Aggregation-enhanced TADF in deep-red emitters for high-performance OLEDs
• Authors of publication: Huang, Chengrui; Zhou, Jianping; Samedov, Kerim; Zhang, Liang; Peng, Guoqing; Peng, Xiangchao; Chen, Mingxing; Zhang, Dongdong; Cai, Yuanjing
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 22.3617 ± 0.0011 Å
• b: 10.6853 ± 0.0004 Å
• c: 11.8757 ± 0.0005 Å
• α: 90°
• β: 99.54 ± 0.004°
• γ: 90°
• Cell volume: 2798.4 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.1
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No