Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567981
Preview
| Coordinates | 1567981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H114 B2 P2 |
|---|---|
| Calculated formula | C54 H114 B2 P2 |
| Title of publication | Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out |
| Authors of publication | Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.0197 ± 0.0005 Å |
| b | 26.5241 ± 0.0015 Å |
| c | 35.839 ± 0.002 Å |
| α | 81.639 ± 0.003° |
| β | 85.64 ± 0.003° |
| γ | 87.03 ± 0.003° |
| Cell volume | 8451.2 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1582 |
| Residual factor for significantly intense reflections | 0.1249 |
| Weighted residual factors for significantly intense reflections | 0.2338 |
| Weighted residual factors for all reflections included in the refinement | 0.2478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567981.html
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.