Information card for entry 7061830

Structure parameters

• Formula: C46 H32 N4 O
• Calculated formula: C46 H32 N4 O
• 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: 16.74 ± 0.0005 Å
• b: 6.7213 ± 0.0003 Å
• c: 30.0962 ± 0.001 Å
• α: 90°
• β: 91.056 ± 0.003°
• γ: 90°
• Cell volume: 3385.7 ± 0.2 ų
• Cell temperature: 179.96 ± 0.1 K
• Ambient diffraction temperature: 179.96 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No