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Information card for entry 4126801
Preview
| Coordinates | 4126801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H44 Cl2 N6 O6 |
|---|---|
| Calculated formula | C45 H44 Cl2 N6 O6 |
| Title of publication | Palladium-Catalyzed Dearomative syn-1,4-Carboamination. |
| Authors of publication | Okumura, Mikiko; Shved, Alexander S.; Sarlah, David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 10.6521 ± 0.0004 Å |
| b | 12.9904 ± 0.0005 Å |
| c | 15.8802 ± 0.0007 Å |
| α | 109.171 ± 0.001° |
| β | 91.791 ± 0.001° |
| γ | 101.31 ± 0.001° |
| Cell volume | 2024.37 ± 0.14 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204006 (current) | 2017-12-06 | cif/ Adding structures of 4126801 via cif-deposit CGI script. |
4126801.cif |
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Users of the data should acknowledge the original authors of the
structural data.