Information card for entry 7233660

Structure parameters

• Formula: C7 H16 F3 N O3 S
• Calculated formula: C7 H16 F3 N O3 S
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].[NH2+](C(C)C)C(C)C
• Title of publication: A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate
• Authors of publication: Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 2341 - 2345
• a: 7.9073 ± 0.0008 Å
• b: 8.8169 ± 0.0009 Å
• c: 8.9215 ± 0.0007 Å
• α: 90.964 ± 0.007°
• β: 93.394 ± 0.007°
• γ: 91.206 ± 0.008°
• Cell volume: 620.66 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0997
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No