Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7153884
Preview
Coordinates | 7153884.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid |
---|---|
Formula | C11 H18 F3 N2 O2 |
Calculated formula | C11 H18 F3 N2 O2 |
Title of publication | Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides. |
Authors of publication | Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 25 |
Pages of publication | 4491 - 4502 |
a | 11.9401 ± 0.0007 Å |
b | 11.3109 ± 0.0007 Å |
c | 10.5933 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1430.66 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0879 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1805 |
Weighted residual factors for all reflections included in the refinement | 0.2075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/7153884.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.