Information card for entry 7055692

Structure parameters

• Common name: [minSstearyl][NTf2]
• Chemical name: 2-(hexadecylthio)-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
• Formula: C22 H39 F6 N3 O4 S3
• Calculated formula: C22 H39 F6 N3 O4 S3
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(c1n(cc[nH+]1)C)CCCCCCCCCCCCCCCC
• Title of publication: Biomimetic design of protic lipidic ionic liquids with enhanced fluidity
• Authors of publication: O'Brien, Richard A.; Zayas, Manuel Sanchez; Nestor, Stephen T.; Gaitor, Jamie C.; Paul, Lauran M.; Edhegard, Forrest A.; Minkowicz, Samuel; Sykora, Richard E.; Sheng, Yinghong; Michael, Scott F.; Isern, Sharon; Mirjafari, Arsalan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7795
• a: 8.567 ± 0.0004 Å
• b: 14.0926 ± 0.0007 Å
• c: 25.1175 ± 0.0009 Å
• α: 88.524 ± 0.003°
• β: 81.396 ± 0.003°
• γ: 87.366 ± 0.004°
• Cell volume: 2994.6 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0979
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No