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Information card for entry 4125027
Preview
| Coordinates | 4125027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 S |
|---|---|
| Calculated formula | C25 H22 S |
| Title of publication | Enantioselective CuH-Catalyzed Hydroallylation of Vinylarenes. |
| Authors of publication | Wang, Yi-Ming; Buchwald, Stephen L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 15 |
| Pages of publication | 5024 - 5027 |
| a | 6.4872 ± 0.0004 Å |
| b | 18.0297 ± 0.0012 Å |
| c | 8.1708 ± 0.0006 Å |
| α | 90° |
| β | 90.0076 ± 0.0017° |
| γ | 90° |
| Cell volume | 955.68 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182498 (current) | 2016-05-04 | cif/ Updating files of 4125027 Original log message: Adding full bibliography for 4125027.cif. |
4125027.cif |
| 181989 | 2016-04-09 | cif/ Adding structures of 4125027 via cif-deposit CGI script. |
4125027.cif |
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Users of the data should acknowledge the original authors of the
structural data.