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Information card for entry 4024308
Preview
Coordinates | 4024308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H19 Br N O3 S |
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Calculated formula | C22 H19 Br N O3 S |
SMILES | Br[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)NS(=O)(=O)c1ccc(cc1)C.Br[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)NS(=O)(=O)c1ccc(cc1)C |
Title of publication | Copper Powder-Catalyzed Regio- and Stereoselective Aminobromination of α,β-Unsaturated Ketones with TsNH2 and NBS as Nitrogen and Halogen Sources |
Authors of publication | Zhan-Guo Chen; Jun-Fa Wei; Run-Tao Li; Xian-Ying Shi; Peng-Fei Zhao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 1371 - 1373 |
a | 9.6611 ± 0.0019 Å |
b | 18.333 ± 0.004 Å |
c | 12.119 ± 0.002 Å |
α | 90° |
β | 99.36 ± 0.03° |
γ | 90° |
Cell volume | 2117.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1885 |
Weighted residual factors for all reflections included in the refinement | 0.2146 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4024308.html
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