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Information card for entry 4131749
Preview
| Coordinates | 4131749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 Cl N2 |
|---|---|
| Calculated formula | C14 H17 Cl N2 |
| SMILES | Clc1cc(ccc1n1nc(cc1)C)C(C)(C)C |
| Title of publication | Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis. |
| Authors of publication | Tay, Nicholas E. S.; Nicewicz, David A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 45 |
| Pages of publication | 16100 - 16104 |
| a | 8.1835 ± 0.0006 Å |
| b | 14.6901 ± 0.001 Å |
| c | 11.1371 ± 0.0008 Å |
| α | 90° |
| β | 90.394 ± 0.004° |
| γ | 90° |
| Cell volume | 1338.83 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241917 (current) | 2019-11-25 | cif/ Adding structures of 4131749 via cif-deposit CGI script. |
4131749.cif |
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