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Information card for entry 4131039
Preview
| Coordinates | 4131039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N O |
|---|---|
| Calculated formula | C16 H17 N O |
| Title of publication | Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons. |
| Authors of publication | Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 43 |
| Pages of publication | 14194 - 14197 |
| a | 5.78299 ± 0.00006 Å |
| b | 12.5407 ± 0.00014 Å |
| c | 17.36504 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1259.36 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241347 (current) | 2019-11-25 | cif/ Adding structures of 4131039 via cif-deposit CGI script. |
4131039.cif |
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Users of the data should acknowledge the original authors of the
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