Information card for entry 7129555

Structure parameters

• Formula: C18 H10 N2 O
• Calculated formula: C18 H10 N2 O
• 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: 25.483 ± 0.003 Å
• b: 3.8577 ± 0.0003 Å
• c: 25.757 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2532.1 ± 0.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No