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Information card for entry 7225656
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Coordinates | 7225656.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H16 N4 O |
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Calculated formula | C9 H16 N4 O |
SMILES | n1(c([n+](cc1)C)C)C.[n-]1cncc1.O |
Title of publication | Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case. |
Authors of publication | Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 27 |
Pages of publication | 18297 - 18304 |
a | 7.3864 ± 0.0004 Å |
b | 12.0203 ± 0.0007 Å |
c | 12.5938 ± 0.0007 Å |
α | 90° |
β | 103.725 ± 0.006° |
γ | 90° |
Cell volume | 1086.23 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1423 |
Weighted residual factors for all reflections included in the refinement | 0.1456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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