Information card for entry 4519136

Structure parameters

• Formula: C21.5 H21.5 N21.5 O21.5 S21.5
• Calculated formula: C72 H71.088 N2 O6 S2
• Title of publication: Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.
• Authors of publication: Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 56413 - 56419
• a: 12.66 ± 0.003 Å
• b: 20.017 ± 0.004 Å
• c: 52.343 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13265 ± 5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No