Information card for entry 4519082

Structure parameters

• Formula: C66.5 H54 N2 O S
• Calculated formula: C66.5 H54 N2 O S
• 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: 13.3772 ± 0.0012 Å
• b: 14.077 ± 0.0012 Å
• c: 15.7032 ± 0.0015 Å
• α: 67.135 ± 0.004°
• β: 77.482 ± 0.005°
• γ: 85.123 ± 0.004°
• Cell volume: 2660 ± 0.4 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No