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Information card for entry 1555126
Preview
| Coordinates | 1555126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 N O3 S |
|---|---|
| Calculated formula | C13 H19 N O3 S |
| SMILES | S(=O)(=O)(N[C@H]1[C@@H](OCC1)CC)c1ccc(cc1)C |
| Title of publication | Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex. |
| Authors of publication | Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 3956 - 3959 |
| a | 7.789 ± 0.002 Å |
| b | 11.669 ± 0.003 Å |
| c | 15.029 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1366 ± 0.6 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238337 (current) | 2019-11-24 | cif/ Adding structures of 1555126 via cif-deposit CGI script. |
1555126.cif |
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Users of the data should acknowledge the original authors of the
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