Information card for entry 1566576

Structure parameters

• Formula: C70 H81 B N2 O4
• Calculated formula: C66 H73 B N2 O2
• Title of publication: Narrowband blue emission with insensitivity to the doping concentration from an oxygen-bridged triarylboron-based TADF emitter: nondoped OLEDs with a high external quantum efficiency up to 21.4%
• Authors of publication: Han, Jianmei; Huang, Zhongyan; Miao, Jingsheng; Qiu, Yuntao; Xie, Ziyang; Yang, Chuluo
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 25.398 ± 0.006 Å
• b: 21.296 ± 0.005 Å
• c: 11.522 ± 0.003 Å
• α: 90°
• β: 96.49 ± 0.01°
• γ: 90°
• Cell volume: 6192 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No