Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205670
Preview
Coordinates | 7205670.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H26 F6 N4 O12 S2 |
---|---|
Calculated formula | C22 H26 F6 N4 O12 S2 |
SMILES | c1ccc(c[n+]1CC(=O)N)C(=O)OCC.c1ccc(c[n+]1CC(=O)N)C(=O)OCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts |
Authors of publication | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 2318 |
a | 10.812 ± 0.002 Å |
b | 11.241 ± 0.002 Å |
c | 13.008 ± 0.002 Å |
α | 88.651 ± 0.004° |
β | 86.423 ± 0.004° |
γ | 73.822 ± 0.004° |
Cell volume | 1515.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0701 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.1924 |
Weighted residual factors for all reflections included in the refinement | 0.1991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
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/7205670.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.