Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709312
Preview
| Coordinates | 7709312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 B4 Br2 F6 N8 O |
|---|---|
| Calculated formula | C22 H18 B4 Br2 F6 N8 O |
| Title of publication | B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion |
| Authors of publication | Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.673 ± 0.001 Å |
| b | 24.2903 ± 0.0019 Å |
| c | 8.7967 ± 0.0008 Å |
| α | 90° |
| β | 107.285 ± 0.005° |
| γ | 90° |
| Cell volume | 2585.6 ± 0.4 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 7 |
| 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272115 (current) | 2022-01-19 | cif/ Adding structures of 7709310, 7709311, 7709312, 7709313 via cif-deposit CGI script. |
7709312.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.