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Information card for entry 4038340
Preview
| Coordinates | 4038340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 N O4 |
|---|---|
| Calculated formula | C13 H19 N O4 |
| 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 | 6.8579 ± 0.0004 Å |
| b | 24.7186 ± 0.0016 Å |
| c | 7.8064 ± 0.0005 Å |
| α | 90° |
| β | 99.07 ± 0.003° |
| γ | 90° |
| Cell volume | 1306.78 ± 0.14 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251957 (current) | 2020-05-12 | cif/ Adding structures of 4038340 via cif-deposit CGI script. |
4038340.cif |
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