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Information card for entry 1567707
Preview
| Coordinates | 1567707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O2 S |
|---|---|
| Calculated formula | C19 H20 O2 S |
| Title of publication | Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade |
| Authors of publication | Stegbauer, Simone; Jandl, Christian; Bach, Thorsten |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 6.4656 ± 0.0002 Å |
| b | 13.7036 ± 0.0005 Å |
| c | 17.0877 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1514 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278327 (current) | 2022-10-04 | cif/ Adding structures of 1567705, 1567706, 1567707 via cif-deposit CGI script. |
1567707.cif |
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Users of the data should acknowledge the original authors of the
structural data.