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Information card for entry 1555371
Preview
| Coordinates | 1555371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N O2 S2 |
|---|---|
| Calculated formula | C14.4167 H11 N O2 S1.8438 |
| SMILES | c12ccccc1[C@@](CC#C)(NS2(=O)=O)c1sccc1 |
| Title of publication | Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines. |
| Authors of publication | Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5340 - 5343 |
| a | 7.5169 ± 0.0003 Å |
| b | 10.5263 ± 0.0005 Å |
| c | 16.5993 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1313.42 ± 0.1 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238569 (current) | 2019-11-24 | cif/ Adding structures of 1555371 via cif-deposit CGI script. |
1555371.cif |
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