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Information card for entry 1559192
Preview
| Coordinates | 1559192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SP24OMe |
|---|---|
| Formula | C23 H24 N4 O |
| Calculated formula | C23 H24 N4 O |
| Title of publication | Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis |
| Authors of publication | Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.4235 ± 0.0003 Å |
| b | 9.4517 ± 0.0003 Å |
| c | 11.8728 ± 0.0004 Å |
| α | 81.662 ± 0.001° |
| β | 82.012 ± 0.001° |
| γ | 79.093 ± 0.001° |
| Cell volume | 1020.62 ± 0.06 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559192.cif |
| 256749 | 2020-09-25 | cif/ Adding structures of 1559189, 1559190, 1559191, 1559192 via cif-deposit CGI script. |
1559192.cif |
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Users of the data should acknowledge the original authors of the
structural data.