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Information card for entry 1562942
Preview
| Coordinates | 1562942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N O3 |
|---|---|
| Calculated formula | C20 H15 N O3 |
| SMILES | O=C1N[C@H](c2c1cccc2)[C@H](c1oc(cc1)C=O)c1ccccc1.O=C1N[C@@H](c2c1cccc2)[C@@H](c1oc(cc1)C=O)c1ccccc1 |
| Title of publication | Tandem Aza-Heck Suzuki and Carbonylation Reactions of O-Phenyl Hydroxamic Ethers: Complex Lactams via Carboamination |
| Authors of publication | Watson, Donald; Gao, Run-Duo; Shular, Scott |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 15.3278 ± 0.0015 Å |
| b | 5.7994 ± 0.0006 Å |
| c | 17.8481 ± 0.0017 Å |
| α | 90° |
| β | 103.677 ± 0.001° |
| γ | 90° |
| Cell volume | 1541.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265566 (current) | 2021-05-28 | cif/ Adding structures of 1562941, 1562942, 1562943 via cif-deposit CGI script. |
1562942.cif |
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Users of the data should acknowledge the original authors of the
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