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Information card for entry 7160653
Preview
| Coordinates | 7160653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 N O3 S |
|---|---|
| Calculated formula | C18 H21 N O3 S |
| Title of publication | TCCA/PhSH-Mediated regioselective hydroethoxylation and hydromethoxylation of allenamides via a radical process. |
| Authors of publication | Liu, Qingsong; Jiri, Gele; She, Xingyao; Zhao, Zhi-Gang; Li, Xiao-Xiao |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.234 ± 0.007 Å |
| b | 11.182 ± 0.007 Å |
| c | 15.852 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1814 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301414 (current) | 2025-07-31 | cif/ Adding structures of 7160653 via cif-deposit CGI script. |
7160653.cif |
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Users of the data should acknowledge the original authors of the
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