Information card for entry 4100975

Structure parameters

• Common name: [nhexpy]NTF2
• Formula: C13 H18 F6 N2 O4 S2
• Calculated formula: C13 H18 F6 N2 O4 S2
• SMILES: c1cc[n+](CCCCCC)cc1.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F
• Title of publication: In situ crystallization of low-melting ionic liquids.
• Authors of publication: Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 48
• Pages of publication: 16792 - 16793
• a: 8.7916 ± 0.0016 Å
• b: 12.911 ± 0.002 Å
• c: 18.341 ± 0.003 Å
• α: 71.969 ± 0.003°
• β: 83.335 ± 0.002°
• γ: 88.815 ± 0.002°
• Cell volume: 1966 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No