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Information card for entry 1501716
Preview
Coordinates | 1501716.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H11 F6 N3 O4 S2 |
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Calculated formula | C11 H11 F6 N3 O4 S2 |
SMILES | c1cccc(CC)[n+]1CC#N.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F |
Title of publication | Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. |
Authors of publication | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2011 |
Journal volume | 115 |
Journal issue | 26 |
Pages of publication | 8424 - 8438 |
a | 8.134 ± 0.0006 Å |
b | 12.4922 ± 0.0009 Å |
c | 17.291 ± 0.0012 Å |
α | 72.707 ± 0.004° |
β | 80.807 ± 0.005° |
γ | 80.637 ± 0.004° |
Cell volume | 1643.6 ± 0.2 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 | 0.0675 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1228 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/1501716.html
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