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Information card for entry 7111026
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Coordinates | 7111026.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-tetradecylimidazolium nitrate |
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Formula | C17 H33 N3 O3 |
Calculated formula | C17 H33 N3 O3 |
SMILES | n1(c[nH+]cc1)CCCCCCCCCCCCCC.N(=O)(=O)[O-] |
Title of publication | Simple amphiphilic liquid crystalline N-alkylimidazolium salts. A new solvent system providing a partially ordered environment |
Authors of publication | Lee, Ching K.; Huang, Hsin W.; Lin, Ivan J. B. |
Journal of publication | Chemical Communications |
Year of publication | 2000 |
Journal issue | 19 |
Pages of publication | 1911 |
a | 8.962 ± 0.003 Å |
b | 19.793 ± 0.004 Å |
c | 22.363 ± 0.007 Å |
α | 99.606 ± 0.017° |
β | 92.371 ± 0.018° |
γ | 98.307 ± 0.018° |
Cell volume | 3861 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7111026.html
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