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Information card for entry 4131641
Preview
| Coordinates | 4131641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N O5 |
|---|---|
| Calculated formula | C14 H19 N O5 |
| Title of publication | Highly Functionalized Tricyclic Oxazinanones via Pairwise Oxidative Dearomatization and N-Hydroxycarbamate Dehydrogenation: Molecular Diversity Inspired by Tetrodotoxin. |
| Authors of publication | Good, Steffen N.; Sharpe, Robert J.; Johnson, Jeffrey S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 36 |
| Pages of publication | 12422 - 12425 |
| a | 11.222 ± 0.0005 Å |
| b | 11.5293 ± 0.0006 Å |
| c | 13.0311 ± 0.0007 Å |
| α | 75.367 ± 0.003° |
| β | 64.51 ± 0.002° |
| γ | 72.713 ± 0.002° |
| Cell volume | 1437.83 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241817 (current) | 2019-11-25 | cif/ Adding structures of 4131641 via cif-deposit CGI script. |
4131641.cif |
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Users of the data should acknowledge the original authors of the
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