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Information card for entry 1546224
Preview
| Coordinates | 1546224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 N O2 S |
|---|---|
| Calculated formula | C25 H23 N O2 S |
| SMILES | S(=O)(=O)(N([C@@H](c1cc2c(cccc2)cc1)c1ccccc1)C)c1ccc(cc1)C |
| Title of publication | Palladium-Catalyzed Asymmetric Benzylic Substitution of Secondary Benzyl Carbonates with Nitrogen and Oxygen Nucleophiles. |
| Authors of publication | Najib, Atifah; Hirano, Koji; Miura, Masahiro |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2438 - 2441 |
| a | 9.717 ± 0.008 Å |
| b | 11.448 ± 0.008 Å |
| c | 10.196 ± 0.008 Å |
| α | 90° |
| β | 112.48 ± 0.006° |
| γ | 90° |
| Cell volume | 1048 ± 1.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197369 (current) | 2017-06-05 | cif/ Adding structures of 1546224 via cif-deposit CGI script. |
1546224.cif |
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