Information card for entry 2207829

Structure parameters

• Chemical name: 3,3,4,4,5,5-Hexafluoro-1-[5-(3-fluorophenyl)-2-methyl-3-thienyl]- 2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene
• Formula: C27 H17 F7 S2
• Calculated formula: C27 H17 F7 S2
• Title of publication: 3,3,4,4,5,5-Hexafluoro-1-[5-(3-fluorophenyl)-2-methyl-3-thienyl]-2-(2-methyl-5-phenyl-3-thienyl)cyclopent-1-ene
• Authors of publication: Pu, Shou-Zhi; Li, Gui-Zhen; Wang, Ru-Ji; Zhao, Ji-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o150 - o152
• a: 18.945 ± 0.002 Å
• b: 11.7925 ± 0.0019 Å
• c: 21.876 ± 0.004 Å
• α: 90°
• β: 96.587 ± 0.012°
• γ: 90°
• Cell volume: 4855 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes