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Information card for entry 7248669
Preview
| Coordinates | 7248669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H49 Cl N2 O2 Pd |
|---|---|
| Calculated formula | C38 H49 Cl N2 O2 Pd |
| Title of publication | Pd/NHC catalyzed reduction and coupling of nitroaromatics for the synthesis of diarylamines |
| Authors of publication | Chen, Wei; Chen, Kai; Wang, Xuejie; Yang, Linjie; Chen, Wanzhi |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 16624 - 16628 |
| a | 14.6813 ± 0.0005 Å |
| b | 15.2077 ± 0.0005 Å |
| c | 16.935 ± 0.0006 Å |
| α | 90° |
| β | 110.478 ± 0.001° |
| γ | 90° |
| Cell volume | 3542.1 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292000 (current) | 2024-05-23 | cif/ Adding structures of 7248669 via cif-deposit CGI script. |
7248669.cif |
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Users of the data should acknowledge the original authors of the
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