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Information card for entry 2000599
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| Coordinates | 2000599.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone |
|---|---|
| Formula | C19 H23 N O4 |
| Calculated formula | C19 H23 N O4 |
| SMILES | N1(C(=O)OC[C@@H]1Cc1ccccc1)C(=O)[C@@H]1[C@H](CC(=CC1)OC)C |
| Title of publication | A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct |
| Authors of publication | Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 9 |
| Pages of publication | 1622 - 1624 |
| a | 11.453 ± 0.003 Å |
| b | 7.163 ± 0.004 Å |
| c | 11.929 ± 0.002 Å |
| α | 90° |
| β | 111.86 ± 0.02° |
| γ | 90° |
| Cell volume | 908.3 ± 0.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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