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Information card for entry 3500036
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| Coordinates | 3500036.cif |
|---|---|
| Structure factors | 3500036.hkl |
| Formula | C19 H20 Cu N2 O2 |
|---|---|
| Calculated formula | C19 H20 Cu N2 O2 |
| SMILES | [Cu]123Oc4ccccc4C=[N]1CC(C)(C)C[N]2=Cc1ccccc1O3 |
| Authors of publication | Juergen Lange |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 9.746 ± 0.003 Å |
| b | 17.215 ± 0.005 Å |
| c | 11.36 ± 0.004 Å |
| α | 90° |
| β | 112.99 ± 0.01° |
| γ | 90° |
| Cell volume | 1754.6 ± 1 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for all reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Goodness-of-fit parameter for all reflections | 1.125 |
| Goodness-of-fit parameter for significantly intense reflections | 1.085 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183218 (current) | 2016-06-01 | cif/ hkl/ Adding structures of 3500036 via cif-deposit CGI script. |
3500036.cif 3500036.hkl |
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Users of the data should acknowledge the original authors of the
structural data.