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Information card for entry 1543734
Preview
Coordinates | 1543734.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 N O4 S2 |
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Calculated formula | C20 H17 N O4 S2 |
SMILES | c1ccccc1/C=C/N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |
Title of publication | Copper-catalyzed decarboxylative stereospecific amidation of cinnamic acids with N-fluorobenzenesulfonimide |
Authors of publication | Yang, Daoshan; Sun, Mingyang; Wei, Wei; Li, Jin; Sun, Pengfei; Zhang, Qingyun; Tian, Laijin; Wang, Hua |
Journal of publication | RSC Advances |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 76 |
Pages of publication | 72361 - 72365 |
a | 14.0128 ± 0.0017 Å |
b | 8.8244 ± 0.0011 Å |
c | 16.431 ± 0.002 Å |
α | 90° |
β | 112.361 ± 0.002° |
γ | 90° |
Cell volume | 1879 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0952 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1508 |
Weighted residual factors for all reflections included in the refinement | 0.169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1543734.cif |
184654 | 2016-07-25 | cif/ Adding structures of 1543734 via cif-deposit CGI script. |
1543734.cif |
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Users of the data should acknowledge the original authors of the
structural data.