Information card for entry 4003539

Structure parameters

• Formula: C23 H15 N O Te
• Calculated formula: C23 H15 N O Te
• SMILES: [Te]1C(=CC=C1)c1ccc(C(=O)n2c3ccccc3c3ccccc23)cc1
• 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: 19.7678 ± 0.0016 Å
• b: 30.778 ± 0.002 Å
• c: 5.8368 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3551.2 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No