Information card for entry 7129554

Structure parameters

• Formula: C24 H15 N3 S
• Calculated formula: C24 H15 N3 S
• SMILES: S1c2c(N(c3cc4nc5c(nc4cc3)cccc5)c3ccccc13)cccc2
• 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: 10.2292 ± 0.0003 Å
• b: 16.3951 ± 0.0005 Å
• c: 11.6492 ± 0.0003 Å
• α: 90°
• β: 113.281 ± 0.004°
• γ: 90°
• Cell volume: 1794.6 ± 0.1 ų
• Cell temperature: 295.7 ± 0.2 K
• Ambient diffraction temperature: 295.7 ± 0.2 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: 0.068
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No