Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036353
Preview
Coordinates | 7036353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 N O2 P |
---|---|
Calculated formula | C18 H20 N O2 P |
SMILES | P(=O)(O)(c1n(c2c(c1)cccc2)c1ccccc1)C(C)(C)C |
Title of publication | Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions. |
Authors of publication | Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 39 |
Pages of publication | 17129 - 17142 |
a | 9.4916 ± 0.0008 Å |
b | 9.9475 ± 0.0008 Å |
c | 10.6719 ± 0.0008 Å |
α | 67.278 ± 0.007° |
β | 87.525 ± 0.006° |
γ | 62.6 ± 0.008° |
Cell volume | 813.93 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Weighted residual factors for all reflections included in the refinement | 0.146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7036353.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.