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Information card for entry 4133592
Preview
Coordinates | 4133592.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H24 N2 O4 S2 |
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Calculated formula | C27 H24 N2 O4 S2 |
SMILES | S(=O)(=O)(N(S(=O)(=O)c1ccccc1)C1C(=C=C(c2ccccc2)C#N)CCCC1)c1ccccc1 |
Title of publication | Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide. |
Authors of publication | Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 1 |
Pages of publication | 548 - 559 |
a | 20.66 ± 0.02 Å |
b | 10.256 ± 0.012 Å |
c | 25.26 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5352 ± 10 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1353 |
Residual factor for significantly intense reflections | 0.0942 |
Weighted residual factors for significantly intense reflections | 0.2296 |
Weighted residual factors for all reflections included in the refinement | 0.2934 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
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/4133592.html
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Users of the data should acknowledge the original authors of the
structural data.