Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132697
Preview
Coordinates | 7132697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H44 N6 O2 P2 |
---|---|
Calculated formula | C58 H44 N6 O2 P2 |
Title of publication | Pd-catalysed C-H alkynylation of benzophospholes. |
Authors of publication | Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 20 |
Pages of publication | 2792 - 2795 |
a | 9.9714 ± 0.0002 Å |
b | 10.8463 ± 0.0002 Å |
c | 22.5248 ± 0.0004 Å |
α | 77.043 ± 0.002° |
β | 86.915 ± 0.002° |
γ | 82.273 ± 0.002° |
Cell volume | 2351.83 ± 0.08 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0464 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7132697.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.