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Information card for entry 1501711
Preview
Coordinates | 1501711.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H7 F6 N3 O4 S2 |
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Calculated formula | C9 H7 F6 N3 O4 S2 |
SMILES | c1cccc[n+]1CC#N.C(F)(F)(F)S(=O)(=O)N=S([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 | 8.1408 ± 0.0001 Å |
b | 8.7005 ± 0.0001 Å |
c | 10.582 ± 0.0002 Å |
α | 80.863 ± 0.001° |
β | 76.27 ± 0.001° |
γ | 81.141 ± 0.001° |
Cell volume | 713.551 ± 0.018 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 | 0.0285 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/1501711.html
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