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Information card for entry 1553888
Preview
| Coordinates | 1553888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N O3 S |
|---|---|
| Calculated formula | C13 H15 N O3 S |
| SMILES | S(=O)(=O)(C1=C(NC(=O)C)c2ccccc2CC1)C |
| 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 | 15.8995 ± 0.0014 Å |
| b | 8.3725 ± 0.0008 Å |
| c | 9.9537 ± 0.0009 Å |
| α | 90° |
| β | 100.406 ± 0.003° |
| γ | 90° |
| Cell volume | 1303.2 ± 0.2 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| 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. |
1553888.cif |
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Users of the data should acknowledge the original authors of the
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