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Information card for entry 8101096
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| Coordinates | 8101096.cif |
|---|
| Formula | C14 H17 I N2 O3 |
|---|---|
| Calculated formula | C14 H17 I N2 O3 |
| SMILES | N1(C(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CI)Nc1ccccc1 |
| Title of publication | Crystal structure of (3R,4R,5R)-5-iodomethyl-3,4-O-isopropylidenedioxy- 1-phenylamino-pyrrolidine-2-one, C~14~H~17~IN~2~O~3~ |
| Authors of publication | Henkel, Sonja; Shaw, Duncan; Jäger, Volker |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 4 |
| Pages of publication | 611 - 612 |
| a | 6.9748 ± 0.0009 Å |
| b | 12.655 ± 0.002 Å |
| c | 17.837 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1574.4 ± 0.4 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 | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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