Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571438
Preview
| Coordinates | 1571438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C22 H35 B21 |
| Calculated formula | C22 H35 B21 |
| Title of publication | Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation. |
| Authors of publication | Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 20 |
| Pages of publication | 7568 - 7575 |
| a | 10.7014 ± 0.0007 Å |
| b | 11.5495 ± 0.0006 Å |
| c | 14.4626 ± 0.0009 Å |
| α | 96.02 ± 0.002° |
| β | 109.788 ± 0.002° |
| γ | 111.822 ± 0.002° |
| Cell volume | 1505.99 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292905 (current) | 2024-07-05 | cif/ Updating files of 1571438, 1571439, 1571440, 1571441, 1571442, 1571443 Original log message: Adding full bibliography for 1571438--1571443.cif. |
1571438.cif |
| 291233 | 2024-04-17 | cif/ Adding structures of 1571438, 1571439, 1571440, 1571441, 1571442, 1571443 via cif-deposit CGI script. |
1571438.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.