Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160710
Preview
| Coordinates | 7160710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 B N2 O3 |
|---|---|
| Calculated formula | C22 H23 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 | 28.67 ± 0.012 Å |
| b | 7.613 ± 0.003 Å |
| c | 17.786 ± 0.007 Å |
| α | 90° |
| β | 98.54 ± 0.02° |
| γ | 90° |
| Cell volume | 3839 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7160710.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.