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Information card for entry 1554809
Preview
| Coordinates | 1554809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N O5 S2 |
|---|---|
| Calculated formula | C19 H18 N O5 S2 |
| SMILES | c1(S(=O)(=O)N(C(=C\C(C)O)/CCC)S(=O)(=O)c2ccccc2)ccccc1 |
| Title of publication | Organoselenium-catalyzed, hydroxy-controlled regio- and stereoselective amination of terminal alkenes: efficient synthesis of 3-amino allylic alcohols. |
| Authors of publication | Deng, Zhimin; Wei, Jialiang; Liao, Lihao; Huang, Haiyan; Zhao, Xiaodan |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1834 - 1837 |
| a | 7.9459 ± 0.0004 Å |
| b | 8.3713 ± 0.0005 Å |
| c | 15.0845 ± 0.0006 Å |
| α | 98.477 ± 0.004° |
| β | 91.135 ± 0.004° |
| γ | 97.754 ± 0.005° |
| Cell volume | 982.54 ± 0.09 Å3 |
| Cell temperature | 293.35 ± 0.1 K |
| Ambient diffraction temperature | 293.35 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238131 (current) | 2019-11-24 | cif/ Adding structures of 1554809 via cif-deposit CGI script. |
1554809.cif |
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Users of the data should acknowledge the original authors of the
structural data.