Information card for entry 1546730

Structure parameters

• Chemical name: 3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione
• Formula: C13 H9 F13 N2 S
• Calculated formula: C13 H9 F13 N2 S
• Title of publication: 3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione
• Authors of publication: Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170648
• a: 7.425 ± 0.001 Å
• b: 9.952 ± 0.002 Å
• c: 24.359 ± 0.004 Å
• α: 85.076 ± 0.005°
• β: 83.431 ± 0.005°
• γ: 88.72 ± 0.005°
• Cell volume: 1781.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes