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Information card for entry 1506366
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 F6 N2 P |
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Calculated formula | C19 H21 F6 N2 P |
SMILES | n1(c[n+](cc1)[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. |
Authors of publication | Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2005 |
Journal volume | 109 |
Journal issue | 10 |
Pages of publication | 4341 - 4349 |
a | 10.2149 ± 0.0005 Å |
b | 12.5025 ± 0.0004 Å |
c | 15.0057 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1916.4 ± 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 | 0.0897 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
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/1506366.html
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Users of the data should acknowledge the original authors of the
structural data.