Information card for entry 7131519

Structure parameters

• Formula: C80 H62 B2 N4 S
• Calculated formula: C80 H62 B2 N4 S
• Title of publication: Dibenzo[<i>b,d</i>]furan/thiophene-fused double boron-based multiresonance emitters with narrowband ultrapure green electroluminescence.
• Authors of publication: Wang, Menglei; Fu, Zhangyi; Cheng, Rui; Du, Jiping; Wu, Tanping; Bin, Zhengyang; Wu, Di; Yang, Yudong; Lan, Jingbo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 34
• Pages of publication: 5126 - 5129
• a: 8.1533 ± 0.0019 Å
• b: 16.228 ± 0.004 Å
• c: 24.673 ± 0.005 Å
• α: 90.389 ± 0.007°
• β: 96.302 ± 0.007°
• γ: 94.832 ± 0.008°
• Cell volume: 3232.8 ± 1.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.2007
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No