Information card for entry 4519081

Structure parameters

• Formula: C56 H42 N2 O3 S
• Calculated formula: C56 H42 N2 O3 S
• SMILES: S1(=O)(=O)c2c(C3(c4c1ccc(N1c5c(C(c6c1cccc6)(C)C)cccc5)c4)c1c(C(=O)c4c3cccc4)cccc1)cc(N1c3ccccc3C(c3c1cccc3)(C)C)cc2
• Title of publication: Two-Channel Space Charge Transfer-Induced Thermally Activated Delayed Fluorescent Materials for Efficient OLEDs with Low Efficiency Roll-Off.
• Authors of publication: Wang, Ruifang; Li, Zhiyi; Hu, Taiping; Tian, Lei; Hu, Xiaoxiao; Liu, Shihao; Cao, Chen; Zhu, Ze-Lin; Tan, Ji-Hua; Yi, Yuanping; Wang, Pengfei; Lee, Chun-Sing; Wang, Ying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 49066 - 49075
• a: 11.672 ± 0.002 Å
• b: 13.783 ± 0.003 Å
• c: 13.798 ± 0.003 Å
• α: 107.44 ± 0.03°
• β: 93.06 ± 0.03°
• γ: 97.48 ± 0.03°
• Cell volume: 2089.7 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213.15 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: 0.0821
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No