Information card for entry 1572798

Structure parameters

• Chemical name: DB-SF2
• 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: 14.1931 ± 0.0011 Å
• b: 16.6449 ± 0.0012 Å
• c: 17.7614 ± 0.0014 Å
• α: 71.081 ± 0.003°
• β: 69.022 ± 0.004°
• γ: 78.65 ± 0.004°
• Cell volume: 3690.7 ± 0.5 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: 0.1824
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.3059
• Weighted residual factors for all reflections included in the refinement: 0.3547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No