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Information card for entry 4038333
Preview
| Coordinates | 4038333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H29 N O5 |
|---|---|
| Calculated formula | C28 H29 N O5 |
| Title of publication | Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine. |
| Authors of publication | Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 18.426 ± 0.005 Å |
| b | 5.74 ± 0.005 Å |
| c | 24.343 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 105.005 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2487 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.228 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2249 |
| Weighted residual factors for all reflections included in the refinement | 0.3043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251865 (current) | 2020-05-07 | cif/ Adding structures of 4038333 via cif-deposit CGI script. |
4038333.cif |
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Users of the data should acknowledge the original authors of the
structural data.