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Information card for entry 1553031
Preview
| Coordinates | 1553031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 Cl2 Fe N2 P |
|---|---|
| Calculated formula | C29 H29 Cl2 Fe N2 P |
| Title of publication | Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes |
| Authors of publication | Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | 1101 |
| a | 17.631 ± 0.005 Å |
| b | 10.038 ± 0.003 Å |
| c | 16.442 ± 0.004 Å |
| α | 90° |
| β | 111.334 ± 0.005° |
| γ | 90° |
| Cell volume | 2710.5 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1291 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1682 |
| Weighted residual factors for all reflections included in the refinement | 0.1931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232979 (current) | 2019-11-23 | cif/ Adding structures of 1553029, 1553030, 1553031 via cif-deposit CGI script. |
1553031.cif |
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Users of the data should acknowledge the original authors of the
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