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Information card for entry 2010412
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| Coordinates | 2010412.cif |
|---|
| Formula | C16 H17 N O3 S |
|---|---|
| Calculated formula | C16 H17 N O3 S |
| SMILES | S(=O)(c1ccc(cc1)C)C1=C[C@H]([C@@H]2[C@H](C1)C(=O)NC2=O)C |
| Title of publication | The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide |
| Authors of publication | P. Gosselin; E. Bonfand; C. Maignan; R. Retoux |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Pages of publication | 94 - 96 |
| a | 8.5143 ± 0.0007 Å |
| b | 11.8171 ± 0.0006 Å |
| c | 14.752 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1484.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| 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.