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Information card for entry 1553136
Preview
| Coordinates | 1553136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N2 O3 |
|---|---|
| Calculated formula | C14 H14 N2 O3 |
| SMILES | O=N(=N/c1ccccc1)\c1c(OC)cccc1OC |
| Title of publication | Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols |
| Authors of publication | Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 951 |
| a | 12.8276 ± 0.0003 Å |
| b | 8.4882 ± 0.0002 Å |
| c | 24.8068 ± 0.0007 Å |
| α | 90° |
| β | 91.044 ± 0.002° |
| γ | 90° |
| Cell volume | 2700.6 ± 0.12 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233629 (current) | 2019-11-23 | cif/ Adding structures of 1553136, 1553137, 1553138 via cif-deposit CGI script. |
1553136.cif |
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Users of the data should acknowledge the original authors of the
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