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Information card for entry 7121811
Preview
| Coordinates | 7121811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H18 Cl N O |
|---|---|
| Calculated formula | C19 H18 Cl N O |
| Title of publication | GO-Cu<sub>7</sub>S<sub>4</sub> catalyzed ortho-aminomethylation of phenol derivatives with N,N-dimethylbenzylamines: site-selective oxidative CDC. |
| Authors of publication | Gupta, Sonu; Chandna, Nisha; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 54 |
| Pages of publication | 7511 - 7514 |
| a | 20.1159 ± 0.0013 Å |
| b | 8.9951 ± 0.0005 Å |
| c | 17.9253 ± 0.0011 Å |
| α | 90° |
| β | 93.382 ± 0.002° |
| γ | 90° |
| Cell volume | 3237.8 ± 0.3 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121811.cif |
| 228559 | 2019-11-17 | cif/ Updating files of 7121811 Original log message: Adding full bibliography for 7121811.cif. |
7121811.cif |
| 208152 | 2018-06-06 | cif/ Adding structures of 7121811 via cif-deposit CGI script. |
7121811.cif |
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Users of the data should acknowledge the original authors of the
structural data.