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Information card for entry 1553045
Preview
| Coordinates | 1553045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 N3 O2 |
|---|---|
| Calculated formula | C16 H19 N3 O2 |
| 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 | 8.0742 ± 0.0005 Å |
| b | 12.4409 ± 0.001 Å |
| c | 17.6473 ± 0.0012 Å |
| α | 71.94 ± 0.007° |
| β | 79.009 ± 0.006° |
| γ | 72.177 ± 0.006° |
| Cell volume | 1595.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0891 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1451 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
1553045.cif |
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Users of the data should acknowledge the original authors of the
structural data.