Information card for entry 7129553

Structure parameters

• Formula: C24 H15 F2 N3
• Calculated formula: C24 H15 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: 7.168 ± 0.00011 Å
• b: 22.8606 ± 0.0004 Å
• c: 23.0265 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3773.23 ± 0.12 ų
• Cell temperature: 296.75 ± 0.1 K
• Ambient diffraction temperature: 296.75 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No