Information card for entry 1505124

Structure parameters

• Formula: C70 H100 F10 O4
• Calculated formula: C70 H100 F10 O4
• SMILES: CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)c(C#Cc2c(F)c(F)c(c(c2F)F)F)c(c(c1C#Cc1c(F)c(F)c(c(c1F)F)F)OCCCCCCCCCCCC)OCCCCCCCCCCCC
• Title of publication: Alternating Arene−Perfluoroarene Poly(phenylene ethynylenes)
• Authors of publication: Woody, Kathy B.; Bullock, Joseph E.; Parkin, Sean R.; Watson, Mark D.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 4470
• a: 7.476 ± 0.0001 Å
• b: 10.075 ± 0.0001 Å
• c: 21.871 ± 0.0003 Å
• α: 92.96 ± 0.0005°
• β: 96.22 ± 0.0005°
• γ: 94.345 ± 0.0005°
• Cell volume: 1629.96 ± 0.04 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No