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Information card for entry 1562943
Preview
| Coordinates | 1562943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.5 H18.5 Cl1.5 N2 O2 |
|---|---|
| Calculated formula | C21.5 H18.5 Cl1.5 N2 O2 |
| 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 | 11.9474 ± 0.0005 Å |
| b | 13.1954 ± 0.0005 Å |
| c | 13.9109 ± 0.0006 Å |
| α | 65.097 ± 0.001° |
| β | 73.267 ± 0.002° |
| γ | 76.047 ± 0.002° |
| Cell volume | 1886.7 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265566 (current) | 2021-05-28 | cif/ Adding structures of 1562941, 1562942, 1562943 via cif-deposit CGI script. |
1562943.cif |
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Users of the data should acknowledge the original authors of the
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