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Information card for entry 1553225
Preview
| Coordinates | 1553225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 F2 N2 O4 S |
|---|---|
| Calculated formula | C17 H14 F2 N2 O4 S |
| SMILES | S1(=O)(=O)N[C@@]2(c3c1cccc3)C(=O)N([C@@](O)(C2(F)F)c1ccccc1)C |
| Title of publication | Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines |
| Authors of publication | Yu, Jin-Sheng; Zhou, Jian |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 298 |
| a | 7.1956 ± 0.0003 Å |
| b | 9.6833 ± 0.0003 Å |
| c | 23.2873 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1622.59 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233719 (current) | 2019-11-23 | cif/ Adding structures of 1553224, 1553225 via cif-deposit CGI script. |
1553225.cif |
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Users of the data should acknowledge the original authors of the
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