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Information card for entry 4038354
Preview
| Coordinates | 4038354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 O4 S |
|---|---|
| Calculated formula | C20 H24 N2 O4 S |
| Title of publication | A rearrangement of 3-hydroxyazetidines into 2-oxazolines. |
| Authors of publication | Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 15.4987 ± 0.0008 Å |
| b | 11.7051 ± 0.0006 Å |
| c | 21.9098 ± 0.0011 Å |
| α | 90° |
| β | 90.544 ± 0.002° |
| γ | 90° |
| Cell volume | 3974.6 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251999 (current) | 2020-05-13 | cif/ Adding structures of 4038354 via cif-deposit CGI script. |
4038354.cif |
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Users of the data should acknowledge the original authors of the
structural data.