Information card for entry 4002745

Structure parameters

• Formula: C31 H19 N O2 S
• Calculated formula: C31 H19 N O2 S
• SMILES: c12c(cc(cc1)C(=O)c1ccc(cc1)N1c3c(Oc4c1cccc4)cccc3)c1c(cccc1)s2
• Title of publication: Robust Luminescent Materials with Prominent Aggregation-Induced Emission and Thermally Activated Delayed Fluorescence for High-Performance Organic Light-Emitting Diodes
• Authors of publication: Guo, Jingjing; Li, Xiang-Long; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Su, Shi-Jian; Tang, Ben Zhong
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 9.9762 ± 0.0009 Å
• b: 7.8431 ± 0.0008 Å
• c: 28.56 ± 0.003 Å
• α: 90°
• β: 90.04 ± 0.003°
• γ: 90°
• Cell volume: 2234.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No