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Information card for entry 1574416
Preview
| Coordinates | 1574416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 N O4 |
|---|---|
| Calculated formula | C14 H15 N O4 |
| Title of publication | Photoinduced Copper-Catalysed Enantioselective Amination of Allylic and Propargylic C–H Bonds |
| Authors of publication | Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.41048 ± 0.00005 Å |
| b | 6.29241 ± 0.00005 Å |
| c | 28.7488 ± 0.00018 Å |
| α | 90° |
| β | 94.1631 ± 0.0006° |
| γ | 90° |
| Cell volume | 1337.01 ± 0.016 Å3 |
| Cell temperature | 143.15 K |
| Ambient diffraction temperature | 143.15 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299318 (current) | 2025-04-18 | cif/ Adding structures of 1574416 via cif-deposit CGI script. |
1574416.cif |
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Users of the data should acknowledge the original authors of the
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