Information card for entry 4517420

Structure parameters

• Formula: C26 H14 F4 S2
• Calculated formula: C26 H14 F4 S2
• SMILES: s1c(ccc1c1ccccc1)c1c(F)c(F)c(c(F)c1F)c1sc(cc1)c1ccccc1
• Title of publication: Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.
• Authors of publication: Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 9507 - 9519
• a: 43.582 ± 0.001 Å
• b: 5.8661 ± 0.0001 Å
• c: 7.7244 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1974.79 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No