Information card for entry 4003540

Structure parameters

• Formula: C23 H15 N O Se
• Calculated formula: C23 H15 N O Se
• SMILES: [se]1c(c2ccc(C(=O)n3c4ccccc4c4ccccc34)cc2)ccc1
• Title of publication: Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence
• Authors of publication: Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 6.2684 ± 0.0002 Å
• b: 15.7449 ± 0.0006 Å
• c: 17.5392 ± 0.0006 Å
• α: 90°
• β: 94.1879 ± 0.0011°
• γ: 90°
• Cell volume: 1726.42 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No