Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128507
Preview
Coordinates | 4128507.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H27 Cl F N O2 |
---|---|
Calculated formula | C19 H27 Cl F N O2 |
Title of publication | Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines. |
Authors of publication | Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 7 |
Pages of publication | 2878 - 2883 |
a | 13.4572 ± 0.001 Å |
b | 17.9878 ± 0.0008 Å |
c | 15.8501 ± 0.0009 Å |
α | 90° |
β | 107.078 ± 0.007° |
γ | 90° |
Cell volume | 3667.6 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1438 |
Residual factor for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections | 0.2302 |
Weighted residual factors for significantly intense reflections | 0.1814 |
Weighted residual factors for all reflections included in the refinement | 0.2302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0244 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128507.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.