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Information card for entry 4038338
Preview
| Coordinates | 4038338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 N O6 |
|---|---|
| Calculated formula | C20 H19 N O6 |
| Title of publication | Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones |
| Authors of publication | Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D. |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 12.061 ± 0.002 Å |
| b | 28.652 ± 0.005 Å |
| c | 16.333 ± 0.003 Å |
| α | 90° |
| β | 102.425 ± 0.002° |
| γ | 90° |
| Cell volume | 5512 ± 1.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251955 (current) | 2020-05-12 | cif/ Adding structures of 4038338 via cif-deposit CGI script. |
4038338.cif |
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Users of the data should acknowledge the original authors of the
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