Information card for entry 4100971

Structure parameters

• Common name: [bmim]OTf
• Formula: C9 H15 F3 N2 O3 S
• Calculated formula: C9 H15 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.n1(cc[n+](c1)C)CCCC
• 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: 10.222 ± 0.003 Å
• b: 12.534 ± 0.004 Å
• c: 22.541 ± 0.007 Å
• α: 90°
• β: 93.281 ± 0.011°
• γ: 90°
• Cell volume: 2883.2 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No