Information card for entry 8000280

Structure parameters

• Formula: C42 H36 N2 O2 S
• Calculated formula: C42 H36 N2 O2 S
• Title of publication: Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property.
• Authors of publication: Wu, Kailong; Wang, Zian; Zhan, Lisi; Zhong, Cheng; Gong, Shaolong; Xie, Guohua; Yang, Chuluo
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2018
• Pages of publication: 1547 - 1553
• a: 13.5766 ± 0.0012 Å
• b: 15.6601 ± 0.0012 Å
• c: 15.8281 ± 0.0012 Å
• α: 90°
• β: 96.624 ± 0.003°
• γ: 90°
• Cell volume: 3342.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1461
• 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