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.