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Information card for entry 1574706
Preview
| Coordinates | 1574706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 O3 S |
|---|---|
| Calculated formula | C18 H18 O3 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 | 19.0857 ± 0.0003 Å |
| b | 5.32972 ± 0.00008 Å |
| c | 31.1946 ± 0.0004 Å |
| α | 90° |
| β | 92.5193 ± 0.0014° |
| γ | 90° |
| Cell volume | 3170.09 ± 0.08 Å3 |
| Cell temperature | 139.98 ± 0.1 K |
| Ambient diffraction temperature | 139.98 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 299798 (current) | 2025-05-24 | cif/ Adding structures of 1574706, 1574707 via cif-deposit CGI script. |
1574706.cif |
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Users of the data should acknowledge the original authors of the
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