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Information card for entry 1574707
Preview
| Coordinates | 1574707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N O5 S |
|---|---|
| Calculated formula | C16 H17 N O5 S |
| Title of publication | Enantioselective Synthesis of 1,2-Disubstituted Thiocyclobutanes via Michael Addition |
| Authors of publication | Robert, Emma G. L.; Waser, Jerome |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 5.01559 ± 0.00008 Å |
| b | 9.23324 ± 0.00015 Å |
| c | 32.6513 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1512.09 ± 0.04 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299798 (current) | 2025-05-24 | cif/ Adding structures of 1574706, 1574707 via cif-deposit CGI script. |
1574707.cif |
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Users of the data should acknowledge the original authors of the
structural data.