Information card for entry 4517794

Structure parameters

• Formula: C35 H27 N3 O
• Calculated formula: C35 H27 N3 O
• SMILES: O=C(c1nc2n(c1c1ccccc1)cccc2)c1ccc(N2c3c(cccc3)C(c3c2cccc3)(C)C)cc1
• 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: 9.7565 ± 0.0011 Å
• b: 23.074 ± 0.003 Å
• c: 11.8555 ± 0.0011 Å
• α: 90°
• β: 103.531 ± 0.01°
• γ: 90°
• Cell volume: 2594.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0843
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No