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Information card for entry 4129262
Preview
| Coordinates | 4129262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N O2 S |
|---|---|
| Calculated formula | C13 H15 N O2 S |
| SMILES | S(=O)(=O)(N1CC=C[C@@H]1C=C)c1ccc(cc1)C |
| Title of publication | Enantioselective olefin metathesis with cyclometalated ruthenium complexes. |
| Authors of publication | Hartung, John; Dornan, Peter K.; Grubbs, Robert H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 37 |
| Pages of publication | 13029 - 13037 |
| a | 6.2426 ± 0.0004 Å |
| b | 7.7345 ± 0.0005 Å |
| c | 25.5322 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1232.78 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.528 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240025 (current) | 2019-11-25 | cif/ Adding structures of 4129262 via cif-deposit CGI script. |
4129262.cif |
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