Information card for entry 2225711

Structure parameters

• Chemical name: (<i>E</i>)-3-(2,3,4,5,6-Pentafluorostyryl)thiophene
• Formula: C12 H5 F5 S
• Calculated formula: C12 H5 F5 S
• SMILES: s1cc(cc1)/C=C/c1c(F)c(F)c(F)c(F)c1F
• Title of publication: (<i>E</i>)-3-(2,3,4,5,6-Pentafluorostyryl)thiophene
• Authors of publication: Clément, Sébastien; Coulembier, Olivier; Meyer, Franck; Zeller, Matthias; Vande Velde, Christophe M. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o896 - o897
• a: 5.8097 ± 0.0015 Å
• b: 24.581 ± 0.006 Å
• c: 7.3224 ± 0.0018 Å
• α: 90°
• β: 94.953 ± 0.004°
• γ: 90°
• Cell volume: 1041.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes