Information card for entry 4519135

Structure parameters

• Formula: C72 N2 O6 S2
• Calculated formula: C72 N2 O6 S2
• SMILES: CC(C)(C)c1ccc2c(c3c(ccc(c3)C(C)(C)C)n2c2c3c(c(c4c2Oc2ccc5CCCCc5c2c2c(ccc5CCCCc25)O4)n2c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc24)S(=O)(=O)c2ccccc2S3(=O)=O)c1
• 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: 20.055 ± 0.0008 Å
• b: 12.6443 ± 0.0005 Å
• c: 52.3185 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13267 ± 0.9 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• 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: 0.128
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No