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Information card for entry 1553887
Preview
| Coordinates | 1553887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N O3 S |
|---|---|
| Calculated formula | C18 H17 N O3 S |
| SMILES | S(=O)(=O)(C1=C(c2ccccc2CC1)NC(=O)C)c1ccccc1 |
| Title of publication | Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides |
| Authors of publication | Sun, Deli; Zhang, Ronghua |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 92 |
| a | 17.558 ± 0.0012 Å |
| b | 9.331 ± 0.0006 Å |
| c | 9.8891 ± 0.0006 Å |
| α | 90° |
| β | 91.367 ± 0.002° |
| γ | 90° |
| Cell volume | 1619.71 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236125 (current) | 2019-11-24 | cif/ Adding structures of 1553887, 1553888 via cif-deposit CGI script. |
1553887.cif |
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