Information card for entry 2224679

Structure parameters

• Common name: 1,2-bis[4-(phenylethynyl)phenyl]perfluorocyclopentene
• Chemical name: 3,3,4,4,5,5-Hexafluoro-1,2-bis[4-(phenylethynyl)phenyl]cyclopentene
• Formula: C33 H18 F6
• Calculated formula: C33 H18 F6
• SMILES: FC1(F)C(F)(F)C(=C(C1(F)F)c1ccc(cc1)C#Cc1ccccc1)c1ccc(cc1)C#Cc1ccccc1
• Title of publication: 3,3,4,4,5,5-Hexafluoro-1,2-bis[4-(phenylethynyl)phenyl]cyclopentene
• Authors of publication: Liu, Shaoqian; Chen, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o129
• a: 16.35 ± 0.001 Å
• b: 9.2893 ± 0.0007 Å
• c: 17.98 ± 0.001 Å
• α: 90°
• β: 103.654 ± 0.001°
• γ: 90°
• Cell volume: 2653.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes