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Information card for entry 1553043
Preview
| Coordinates | 1553043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 N2 O2 |
|---|---|
| Calculated formula | C20 H20 N2 O2 |
| SMILES | O=C(NC(c1ncccc1)(C)C)c1c(OC)ccc2c1cccc2 |
| Title of publication | Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C‒H bonds using a removable bidentate auxiliary |
| Authors of publication | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 119 |
| a | 10.255 ± 0.001 Å |
| b | 10.8108 ± 0.0012 Å |
| c | 15.4763 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1715.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232996 (current) | 2019-11-23 | cif/ Adding structures of 1553043, 1553044, 1553045 via cif-deposit CGI script. |
1553043.cif |
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Users of the data should acknowledge the original authors of the
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