Information card for entry 4517646

Structure parameters

• Formula: C52 H44 B2 N2
• Calculated formula: C52 H44 B2 N2
• Title of publication: Diboron-based Delayed Fluorescent Emitters with Orange-to-red Emission and Superior OLEDs Efficiency.
• Authors of publication: Hsieh, Chia-Min; Wu, Tien-Lin; Jayakumar, Jayachandran; Wang, Ying-Chun; Ko, Chang-Lun; Hung, Wen-Yi; Lin, Tzu-Chieh; Wu, Hsin-Hui; Lin, Kuan-Heng; Lin, Cheng-Hung; Hsieh, Shuchen; Cheng, Chien-Hong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 21.1057 ± 0.0012 Å
• b: 7.7008 ± 0.0005 Å
• c: 12.7349 ± 0.0007 Å
• α: 90°
• β: 106.92 ± 0.002°
• γ: 90°
• Cell volume: 1980.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No