Information card for entry 1573743

Structure parameters

• Formula: C68 H62 B2 N2 O2
• Calculated formula: C68 H62 B2 N2 O2
• Title of publication: A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE _<i>y</i> of 0.046.
• Authors of publication: Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3655 - 3661
• a: 16.4777 ± 0.0008 Å
• b: 19.3715 ± 0.0009 Å
• c: 19.7104 ± 0.0009 Å
• α: 82.656 ± 0.002°
• β: 89.376 ± 0.002°
• γ: 77.021 ± 0.002°
• Cell volume: 6079.5 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No