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Information card for entry 1564926
Preview
| Coordinates | 1564926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H18 N2 O3 |
|---|---|
| Calculated formula | C29 H18 N2 O3 |
| SMILES | O=Cc1n(c2c(c1)cccc2)c1c2c(ccc1C1=CC(=O)N(C1=O)c1ccccc1)cccc2 |
| Title of publication | Enantioselective palladaelectro-catalyzed C–H olefinations and allylations for N–C axial chirality |
| Authors of publication | Dhawa, Uttam; Wdowik, Tomasz; Hou, Xiaoyan; Yuan, Binbin; Oliveira, João C. A.; Ackermann, Lutz |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 9.6726 ± 0.0008 Å |
| b | 9.3885 ± 0.0006 Å |
| c | 24.069 ± 0.0015 Å |
| α | 90° |
| β | 91.499 ± 0.006° |
| γ | 90° |
| Cell volume | 2185 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269953 (current) | 2021-10-15 | cif/ Adding structures of 1564926 via cif-deposit CGI script. |
1564926.cif |
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Users of the data should acknowledge the original authors of the
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