Information card for entry 2220393

Structure parameters

• Chemical name: 5-<i>n</i>-Butyl-4-[2-(2-ethyl-1-benzothiophen-3-yl)-3,3,4,4,5,5- hexafluorocyclopent-1-en-1-yl]thiophene-2-carbaldehyde
• Formula: C24 H20 F6 O S2
• Calculated formula: C24 H20 F6 O S2
• SMILES: s1c(CC)c(c2ccccc12)C1=C(C(F)(F)C(F)(F)C1(F)F)c1cc(sc1CCCC)C=O
• Title of publication: 5-<i>n</i>-Butyl-4-[2-(2-ethyl-1-benzothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl]thiophene-2-carbaldehyde
• Authors of publication: Yang, Zhen; Fan, Congbin; Li, Min; Liu, Weijun; Liu, Gang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2311
• a: 10.051 ± 0.001 Å
• b: 11.031 ± 0.001 Å
• c: 12.019 ± 0.001 Å
• α: 113.126 ± 0.001°
• β: 96.882 ± 0.001°
• γ: 103.542 ± 0.001°
• Cell volume: 1157.52 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes