Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158877
Preview
Coordinates | 7158877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 F3 N2 O4 |
---|---|
Calculated formula | C19 H25 F3 N2 O4 |
Title of publication | Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives |
Authors of publication | Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 9.631 ± 0.0002 Å |
b | 19.7773 ± 0.0004 Å |
c | 20.869 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3975.03 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 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/7158877.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.