Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572765
Preview
| Coordinates | 1572765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H35 B Br N |
|---|---|
| Calculated formula | C23 H35 B Br N |
| Title of publication | Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate. |
| Authors of publication | Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 43 |
| Pages of publication | 17873 - 17880 |
| a | 8.7428 ± 0.0007 Å |
| b | 9.4037 ± 0.0008 Å |
| c | 13.3258 ± 0.0011 Å |
| α | 80.686 ± 0.003° |
| β | 87.975 ± 0.003° |
| γ | 80.672 ± 0.003° |
| Cell volume | 1066.79 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296370 (current) | 2024-12-06 | cif/ Updating files of 1572763, 1572764, 1572765, 1572766, 1572767, 1572768, 1572769, 1572770, 1572771, 1572772 Original log message: Adding full bibliography for 1572763--1572772.cif. |
1572765.cif |
| 295024 | 2024-10-04 | cif/ Adding structures of 1572763, 1572764, 1572765, 1572766, 1572767, 1572768, 1572769, 1572770, 1572771, 1572772 via cif-deposit CGI script. |
1572765.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.