Information card for entry 4517795

Structure parameters

• Formula: C32 H21 N3 O S
• Calculated formula: C32 H21 N3 O S
• SMILES: S1c2c(N(c3c1cccc3)c1ccc(cc1)C(=O)c1nc3n(c1c1ccccc1)cccc3)cccc2
• Title of publication: Stimuli-Responsive Aggregation-Induced Delayed Fluorescence Emitters Featuring the Asymmetric D-A Structure with a Novel Diarylketone Acceptor Toward Efficient OLEDs with Negligible Efficiency Roll-Off.
• Authors of publication: Yang, Zhiwen; Zhan, Yingying; Qiu, Zhipeng; Zeng, Jiajie; Guo, Jingjing; Hu, Sheng; Zhao, Zujin; Li, Xianwei; Ji, Shaomin; Huo, Yanping; Su, Shi-Jian
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 8.6828 ± 0.0006 Å
• b: 9.3681 ± 0.0006 Å
• c: 15.4637 ± 0.0011 Å
• α: 83.527 ± 0.006°
• β: 76.819 ± 0.006°
• γ: 72.172 ± 0.006°
• Cell volume: 1164.64 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0647
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No