Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575698
Preview
| Coordinates | 1575698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hq |
|---|---|
| Formula | C26 H34 B2 Br2 N6 O2 |
| Calculated formula | C26 H34 B2 Br2 N6 O2 |
| Title of publication | Photoinduced boryl-oximation of alkenes via NHC-boryl radical generation |
| Authors of publication | Huang, Qiang; Li, Na; Zhang, Panke; Li, Hongji |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 6.1608 ± 0.0015 Å |
| b | 13.731 ± 0.003 Å |
| c | 17.545 ± 0.004 Å |
| α | 90.119 ± 0.008° |
| β | 90.084 ± 0.01° |
| γ | 94.565 ± 0.009° |
| Cell volume | 1479.5 ± 0.6 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302113 (current) | 2025-09-12 | cif/ Adding structures of 1575698 via cif-deposit CGI script. |
1575698.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.