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Information card for entry 4037837
Preview
| Coordinates | 4037837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28.67 Br2 N2 O7.33 Pd |
|---|---|
| Calculated formula | C34 H28.6666 Br2 N2 O7.3333 Pd |
| Title of publication | One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction |
| Authors of publication | Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P. |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 19.9231 ± 0.0003 Å |
| b | 10.1765 ± 0.0002 Å |
| c | 15.8477 ± 0.0004 Å |
| α | 90° |
| β | 93.433 ± 0.002° |
| γ | 90° |
| Cell volume | 3207.31 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247161 (current) | 2020-01-24 | cif/ Adding structures of 4037834, 4037835, 4037836, 4037837, 4037838 via cif-deposit CGI script. |
4037837.cif |
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