Information card for entry 2210373

Structure parameters

• Chemical name: 1,2-Bis[5-(3,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene
• Formula: C27 H14 F10 S2
• Calculated formula: C27 H14 F10 S2
• SMILES: s1c(c(C2=C(c3cc(sc3C)c3ccc(F)c(F)c3)C(F)(F)C(F)(F)C2(F)F)cc1c1ccc(F)c(F)c1)C
• Title of publication: 1,2-Bis[5-(3,4-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene
• Authors of publication: Liu, Gang; Pu, Shou-Zhi; Xu, Jing-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4123 - o4125
• a: 19.126 ± 0.004 Å
• b: 12.098 ± 0.003 Å
• c: 21.528 ± 0.005 Å
• α: 90°
• β: 93.876 ± 0.004°
• γ: 90°
• Cell volume: 4970 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1006
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes