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Information card for entry 1575835
Preview
| Coordinates | 1575835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 N S |
|---|---|
| Calculated formula | C20 H19 N S |
| Title of publication | Cu-Catalyzed Enantioconvergent Deborylative Alkynylation |
| Authors of publication | Head, Joshua; Schubert, Tanner; Zhao, Biyu; Dong, Yuyang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 5.6964 ± 0.0017 Å |
| b | 8.141 ± 0.003 Å |
| c | 17.53 ± 0.005 Å |
| α | 90° |
| β | 95.008 ± 0.009° |
| γ | 90° |
| Cell volume | 809.8 ± 0.4 Å3 |
| Cell temperature | 118.67 K |
| Ambient diffraction temperature | 118.67 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1173 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302196 (current) | 2025-09-20 | cif/ Adding structures of 1575835, 1575836 via cif-deposit CGI script. |
1575835.cif |
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Users of the data should acknowledge the original authors of the
structural data.