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Information card for entry 4133525
Preview
| Coordinates | 4133525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H42 N2 O4 |
|---|---|
| Calculated formula | C38 H42 N2 O4 |
| Title of publication | Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis. |
| Authors of publication | Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 49 |
| Pages of publication | 16914 - 16919 |
| a | 9.6036 ± 0.0005 Å |
| b | 47.197 ± 0.002 Å |
| c | 7.3012 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3309.4 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.01 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 | 0.1524 |
| Residual factor for significantly intense reflections | 0.1359 |
| Weighted residual factors for significantly intense reflections | 0.3285 |
| Weighted residual factors for all reflections included in the refinement | 0.344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243290 (current) | 2019-11-26 | cif/ Adding structures of 4133525 via cif-deposit CGI script. |
4133525.cif |
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Users of the data should acknowledge the original authors of the
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