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Information card for entry 4124606
Preview
| Coordinates | 4124606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 O3 S |
|---|---|
| Calculated formula | C14 H20 O3 S |
| SMILES | S(=O)(=O)(C)c1ccc(cc1)[C@](O)(C)C(C=C)(C)C |
| Title of publication | Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration. |
| Authors of publication | Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 35 |
| Pages of publication | 11262 - 11265 |
| a | 10.6952 ± 0.0005 Å |
| b | 6.1486 ± 0.0004 Å |
| c | 11.1379 ± 0.0006 Å |
| α | 90° |
| β | 101.24 ± 0.005° |
| γ | 90° |
| Cell volume | 718.39 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159600 (current) | 2015-10-05 | cif/ Adding structures of 4124606 via cif-deposit CGI script. |
4124606.cif |
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Users of the data should acknowledge the original authors of the
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