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Information card for entry 1567706
Preview
| Coordinates | 1567706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 Cl O2 |
|---|---|
| Calculated formula | C17 H17 Cl O2 |
| SMILES | Clc1ccc2c(c1)ccc1c2COC[C@H]1C(C=O)(C)C |
| 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 | 6.0803 ± 0.0003 Å |
| b | 8.5188 ± 0.0004 Å |
| c | 13.8407 ± 0.0006 Å |
| α | 90° |
| β | 90.32 ± 0.002° |
| γ | 90° |
| Cell volume | 716.89 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
1567706.cif |
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Users of the data should acknowledge the original authors of the
structural data.