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Information card for entry 1565661
Preview
| Coordinates | 1565661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | VRT-2433340 |
|---|---|
| Formula | C13 H14 O4 S |
| Calculated formula | C13 H14 O4 S |
| SMILES | S1(=O)(=O)C[C@@H]2[C@H](C1)C[C@H]2C(=O)c1c(O)cccc1 |
| Title of publication | Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes. |
| Authors of publication | Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P. |
| Journal of publication | Chemical science |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 236 - 240 |
| a | 8.6416 ± 0.0009 Å |
| b | 6.2775 ± 0.0006 Å |
| c | 10.9475 ± 0.0012 Å |
| α | 90° |
| β | 96.634 ± 0.004° |
| γ | 90° |
| Cell volume | 589.9 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272560 (current) | 2022-02-04 | cif/ Updating files of 1565661 Original log message: Adding full bibliography for 1565661.cif. |
1565661.cif |
| 271341 | 2021-12-12 | cif/ Adding structures of 1565661 via cif-deposit CGI script. |
1565661.cif |
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Users of the data should acknowledge the original authors of the
structural data.