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Information card for entry 1553673
Preview
Coordinates | 1553673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H29 N O2 |
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Calculated formula | C42 H29 N O2 |
SMILES | o1c2cc(c3ccc(cc3)OC)ccc2c(C#N)c1c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Turning on the solid emission from non-emissive 2-aryl-3-cyanobenzofurans by tethering tetraphenylethene for green electroluminescence |
Authors of publication | Peng, Zhixing; Huang, Kai; Tao, Yuhan; Li, Xihui; Zhang, Lianpeng; Lu, Ping; Wang, Yanguang |
Journal of publication | Materials Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 1 |
Journal issue | 9 |
Pages of publication | 1858 |
a | 9.4456 ± 0.0006 Å |
b | 9.9577 ± 0.0006 Å |
c | 16.2906 ± 0.001 Å |
α | 102.183 ± 0.005° |
β | 93.914 ± 0.005° |
γ | 93.086 ± 0.005° |
Cell volume | 1490.57 ± 0.16 Å3 |
Cell temperature | 170.2 K |
Ambient diffraction temperature | 170.2 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 | 0.1104 |
Residual factor for significantly intense reflections | 0.0844 |
Weighted residual factors for significantly intense reflections | 0.1748 |
Weighted residual factors for all reflections included in the refinement | 0.1896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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