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Information card for entry 2003496
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| Coordinates | 2003496.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C17 H23 N O6 |
|---|---|
| Calculated formula | C17 H23 N O6 |
| SMILES | O1c2cc(O)c(cc2OC1)[C@H](O)[C@H]1N(CCC1)C(=O)OC(C)(C)C.O1c2cc(O)c(cc2OC1)[C@@H](O)[C@@H]1N(CCC1)C(=O)OC(C)(C)C |
| Title of publication | <i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate |
| Authors of publication | Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 5 |
| Pages of publication | 993 - 995 |
| a | 9.791 ± 0.002 Å |
| b | 18.974 ± 0.003 Å |
| c | 10.358 ± 0.002 Å |
| α | 90° |
| β | 117.51 ± 0.02° |
| γ | 90° |
| Cell volume | 1706.7 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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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