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Information card for entry 7131000
Preview
| Coordinates | 7131000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H26 N2 O3 S |
|---|---|
| Calculated formula | C24 H26 N2 O3 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1cc(ccc1N1CCOCC1)C |
| Title of publication | Palladium-catalyzed Interannular C-H Amination of Biaryl Amines |
| Authors of publication | Wu, Jiaping; Sun, Peng-Peng; Hong, Yuwen; Yang, Haitao; Xie, Meihua; Zhang, Jitan |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 9.546 ± 0.0006 Å |
| b | 9.1361 ± 0.0005 Å |
| c | 29.2032 ± 0.0017 Å |
| α | 90° |
| β | 93.827 ± 0.002° |
| γ | 90° |
| Cell volume | 2541.2 ± 0.3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| 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 | 0.0948 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279265 (current) | 2022-11-15 | cif/ Adding structures of 7131000, 7131001 via cif-deposit CGI script. |
7131000.cif |
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