Information card for entry 7061831

Structure parameters

• Formula: C34 H23 N3 O
• Calculated formula: C34 H23 N3 O
• SMILES: o1c(c(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nc3c(nc12)cccc3)c1ccccc1
• Title of publication: A 2-phenylfuro[2,3-b]quinoxaline-triphenylamine-based emitter: photophysical properties and application in TADF-sensitized fluorescence OLEDs
• Authors of publication: Wang, XinYe; Li, YiXiang; Wu, Yuan; Qin, Ke; Xu, DeFei; Wang, DongDong; Ma, HuiLi; Ning, ShuYa; Wu, ZhaoXin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 18854 - 18864
• a: 8.7387 ± 0.0005 Å
• b: 9.5225 ± 0.0005 Å
• c: 29.722 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473.3 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No