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Information card for entry 1555134
Preview
| Coordinates | 1555134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 Br Cl N O4 S |
|---|---|
| Calculated formula | C20 H23 Br Cl N O4 S |
| SMILES | [C@@H]([C@H](CC)Br)(NS(=O)(=O)c1ccc(cc1)C)CCOC(=O)c1c(Cl)cccc1 |
| 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 | 7.6751 ± 0.0015 Å |
| b | 12.59 ± 0.003 Å |
| c | 22.275 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2152.4 ± 0.8 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 7 |
| 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238344 (current) | 2019-11-24 | cif/ Adding structures of 1555134 via cif-deposit CGI script. |
1555134.cif |
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