Information card for entry 7227990

Structure parameters

• Formula: C15 H15 F13 N2 O3 S2
• Calculated formula: C15 H15 F13 N2 O3 S2
• Title of publication: Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids
• Authors of publication: Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 8.6657 ± 0.0002 Å
• b: 10.1187 ± 0.0004 Å
• c: 48.601 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4261.6 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No