Information card for entry 7250120

Structure parameters

• Formula: C38.85 H25.18 N5 O0.85
• Calculated formula: C38.847 H25.179 N5 O0.847
• 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: 8.1689 ± 0.0002 Å
• b: 36.9002 ± 0.0009 Å
• c: 9.8982 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2983.65 ± 0.14 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No