Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519378
Preview
Coordinates | 4519378.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 Bi F3 N |
---|---|
Calculated formula | C19 H21 Bi F3 N |
Title of publication | Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation |
Authors of publication | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub |
Journal of publication | ACS Catalysis |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 6 |
Pages of publication | 3719 - 3730 |
a | 12.9594 ± 0.0006 Å |
b | 9.2852 ± 0.0005 Å |
c | 14.7567 ± 0.0009 Å |
α | 90° |
β | 91.483 ± 0.003° |
γ | 90° |
Cell volume | 1775.09 ± 0.17 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0519 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4519378.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.