Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037459
Preview
Coordinates | 4037459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 F3 N2 O2 |
---|---|
Calculated formula | C26 H21 F3 N2 O2 |
Title of publication | Palladium-Catalyzed, Multicomponent Approach to β-Lactams via Aryl Halide Carbonylation. |
Authors of publication | Torres, Gerardo M.; De La Higuera Macias, Maximiliano; Quesnel, Jeffrey S.; Williams, Oliver P.; Yempally, Veeranna; Bengali, Ashfaq A.; Arndtsen, Bruce A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 24 |
Pages of publication | 12106 - 12115 |
a | 24.1714 ± 0.0006 Å |
b | 15.5157 ± 0.0004 Å |
c | 12.1639 ± 0.0003 Å |
α | 90° |
β | 106.879 ± 0.001° |
γ | 90° |
Cell volume | 4365.38 ± 0.19 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/4037459.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.