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Information card for entry 7123409
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Coordinates | 7123409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H22 O2 S |
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Calculated formula | C31 H22 O2 S |
Title of publication | Highly Efficient Deep-Blue OLEDs Based on Hybridized Local and Charge-Transfer Emitters Bearing Pyrene as the Structural Unit |
Authors of publication | Fu, Caixia; Luo, Shuai; Li, Zhenzhen; Ai, Xin; Pang, Zhenguo; Li, Chuan; Chen, Kuan; Zhou, Liang; Li, Feng; Huang, Yan; Lu, Zhiyun |
Journal of publication | Chemical Communications |
Year of publication | 2019 |
a | 8.0078 ± 0.0004 Å |
b | 8.233 ± 0.0004 Å |
c | 19.2322 ± 0.0008 Å |
α | 95.987 ± 0.004° |
β | 94.228 ± 0.004° |
γ | 117.409 ± 0.005° |
Cell volume | 1108.78 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.083 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1485 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7123409.html
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structural data.