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Information card for entry 2008939
Preview
| Coordinates | 2008939.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H16 N2 O4 S |
|---|---|
| Calculated formula | C9 H16 N2 O4 S |
| SMILES | [S@]1(=O)(=NC(=O)[C@@H](C1)CC)CC[C@H]([NH3+])C(=O)[O-] |
| Title of publication | The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase |
| Authors of publication | Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1598 - 1599 |
| a | 10.545 ± 0.001 Å |
| b | 9.747 ± 0.001 Å |
| c | 5.3893 ± 0.0005 Å |
| α | 90° |
| β | 92.243 ± 0.007° |
| γ | 90° |
| Cell volume | 553.5 ± 0.09 Å3 |
| Cell temperature | 298.2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.