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Information card for entry 4132382
Preview
| Coordinates | 4132382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N3 O |
|---|---|
| Calculated formula | C20 H17 N3 O |
| SMILES | C(#N)c1ccc(cc1)CCCC(=O)Nc1cccc2cccnc12 |
| Title of publication | Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes. |
| Authors of publication | Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 30 |
| Pages of publication | 9332 - 9336 |
| a | 23.384 ± 0.005 Å |
| b | 4.7955 ± 0.0011 Å |
| c | 29.08 ± 0.006 Å |
| α | 90° |
| β | 94.542 ± 0.003° |
| γ | 90° |
| Cell volume | 3250.7 ± 1.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242365 (current) | 2019-11-26 | cif/ Adding structures of 4132382 via cif-deposit CGI script. |
4132382.cif |
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Users of the data should acknowledge the original authors of the
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