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Information card for entry 7160712
Preview
| Coordinates | 7160712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H29 B N2 O3 |
|---|---|
| Calculated formula | C27 H29 B N2 O3 |
| Title of publication | Diastereoconvergence in NHC/photo dual-catalysis: stereoselective boroacylation of internal electron-poor alkenes |
| Authors of publication | Zhang, Xiang; Zhang, Bin; Wang, Ya-Peng; Tang, Mei-Ling; Zhang, Qian-Xi; Liu, Hao; Hu, Jia-Tao; Qi, Ting; Li, Jun-Long |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.3606 ± 0.0012 Å |
| b | 10.7025 ± 0.001 Å |
| c | 12.3148 ± 0.0014 Å |
| α | 73.538 ± 0.004° |
| β | 84.906 ± 0.004° |
| γ | 64.683 ± 0.003° |
| Cell volume | 1182.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301944 (current) | 2025-08-30 | cif/ Adding structures of 7160710, 7160711, 7160712 via cif-deposit CGI script. |
7160712.cif |
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Users of the data should acknowledge the original authors of the
structural data.