Information card for entry 7129557

Structure parameters

• Formula: C24 H13 F2 N3
• Calculated formula: C24 H13 F2 N3
• Title of publication: An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine
• Authors of publication: Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.9727 ± 0.0012 Å
• b: 21.106 ± 0.002 Å
• c: 13.7772 ± 0.0018 Å
• α: 90°
• β: 120.245 ± 0.003°
• γ: 90°
• Cell volume: 1751.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No