Information card for entry 2202980

Structure parameters

• Common name: 1,2-bis(3-methylbenzothien-2-yl)perfluorocyclopentene
• Chemical name: 3,3,4,4,5,5-Hexafluoro-1,2-bis(3-methylbenzo[b]-2-thienyl)cyclopentene
• Formula: C23 H14 F6 S2
• Calculated formula: C23 H14 F6 S2
• SMILES: Cc1c2ccccc2sc1C1=C(c2sc3c(c2C)cccc3)C(C(C1(F)F)(F)F)(F)F
• Title of publication: 3,3,4,4,5,5-Hexafluoro-1,2-bis(3-methylbenzo[<i>b</i>]-2-thienyl)cyclopentene
• Authors of publication: Sun, Fan; Zhang, Fushi; Wang, Ruji; Zhao, Fuqun; Pu, Shouzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o981 - o982
• a: 18.835 ± 0.0018 Å
• b: 9.3507 ± 0.0009 Å
• c: 11.643 ± 0.002 Å
• α: 90°
• β: 94.653 ± 0.011°
• γ: 90°
• Cell volume: 2043.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes