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Information card for entry 4515772
Preview
| Coordinates | 4515772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N2 O3 |
|---|---|
| Calculated formula | C16 H22 N2 O3 |
| SMILES | N1(c2cccc3N(C(=O)OC)C(Cc23)(C)C)CCOCC1 |
| Title of publication | Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis |
| Authors of publication | Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11827 |
| a | 10.5957 ± 0.0009 Å |
| b | 18.8441 ± 0.0017 Å |
| c | 7.6415 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1525.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225897 (current) | 2019-11-10 | cif/ Adding structures of 4515772 via cif-deposit CGI script. |
4515772.cif |
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Users of the data should acknowledge the original authors of the
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