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Information card for entry 7052248
Preview
Coordinates | 7052248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H37 Br N2 O |
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Calculated formula | C23 H37 Br N2 O |
SMILES | [Br-].O(c1ccc(Cn2c[n+](cc2)C)cc1)CCCCCCCCCCCC |
Title of publication | New ionic liquid crystals based on imidazolium salts |
Authors of publication | Dobbs, William; Douce, Laurent; Allouche, Lionel; Louati, Alain; Malbosc, François; Welter, Richard |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 528 |
a | 8.761 ± 0.0002 Å |
b | 9.762 ± 0.0003 Å |
c | 27.257 ± 0.0013 Å |
α | 93.675 ± 0.0013° |
β | 96.278 ± 0.0012° |
γ | 95.237 ± 0.004° |
Cell volume | 2301.03 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0798 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/7052248.html
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structural data.