Information card for entry 1569373

Structure parameters

• Formula: C52 H33 B2 N3 O
• Calculated formula: C52 H33 B2 N3 O
• Title of publication: Precisely regulating the double-boron-based multi-resonance framework towards pure-red emitters: high-performance OLEDs with CIE coordinates fully satisfying the BT. 2020 standard.
• Authors of publication: Zou, Yang; He, Jiawei; Li, Nengquan; Hu, Yuxuan; Luo, Sai; Cao, Xiaosong; Yang, Chuluo
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 3712 - 3718
• a: 14.4911 ± 0.001 Å
• b: 17.4128 ± 0.0012 Å
• c: 32.32 ± 0.002 Å
• α: 90°
• β: 99.617 ± 0.003°
• γ: 90°
• Cell volume: 8040.7 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1466
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.3387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No