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Information card for entry 7238987
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| Coordinates | 7238987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-(4-methoxyphenyl)isoquinolin-1-amine |
|---|---|
| Formula | C16 H14 N2 O |
| Calculated formula | C16 H14 N2 O |
| Title of publication | Base and ligand free copper-catalyzed N-arylation of 2-amino-N-heterocycles with boronic acids in air |
| Authors of publication | Rao, D. Nageswar; Rasheed, Sk.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 29 |
| Pages of publication | 11472 |
| a | 13.427 ± 0.0013 Å |
| b | 5.6126 ± 0.0005 Å |
| c | 16.7627 ± 0.0019 Å |
| α | 90° |
| β | 91.685 ± 0.01° |
| γ | 90° |
| Cell volume | 1262.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2057 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244496 (current) | 2019-11-28 | cif/ Adding structures of 7238987 via cif-deposit CGI script. |
7238987.cif |
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