Information card for entry 1572797

Structure parameters

• Chemical name: DB-SF1
• Formula: C86 H59 B2 N3
• Calculated formula: C86 H59 B2 N3
• Title of publication: High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.
• Authors of publication: Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 18076 - 18084
• a: 13.8977 ± 0.0006 Å
• b: 16.6183 ± 0.0007 Å
• c: 20.3259 ± 0.0008 Å
• α: 113.405 ± 0.001°
• β: 95.369 ± 0.002°
• γ: 91.274 ± 0.002°
• Cell volume: 4280.2 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.277
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No