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Information card for entry 1549849
Preview
| Coordinates | 1549849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H32 N2 O8 S |
|---|---|
| Calculated formula | C26 H32 N2 O8 S |
| SMILES | S(=O)(=O)(NC[C@]1(OC(=O)OC(C)(C)C)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C)c1ccc(cc1)C |
| Title of publication | Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines. |
| Authors of publication | Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 42 |
| Pages of publication | 8094 - 8098 |
| a | 6.25857 ± 0.00015 Å |
| b | 10.36 ± 0.0006 Å |
| c | 11.9013 ± 0.0006 Å |
| α | 64.561 ± 0.005° |
| β | 87.812 ± 0.003° |
| γ | 84.16 ± 0.003° |
| Cell volume | 693.22 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228696 (current) | 2019-11-17 | cif/ Updating files of 1549848, 1549849 Original log message: Adding full bibliography for 1549848--1549849.cif. |
1549849.cif |
| 210183 | 2018-08-28 | cif/ Adding structures of 1549848, 1549849 via cif-deposit CGI script. |
1549849.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.