Information card for entry 4517419

Structure parameters

• Formula: C26 H4 F14 S2
• Calculated formula: C26 H4 F14 S2
• SMILES: c1(ccc(c2c(c(c(c3ccc(c4c(c(c(c(c4F)F)F)F)F)s3)c(c2F)F)F)F)s1)c1c(c(c(c(c1F)F)F)F)F
• 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: 7.5177 ± 0.0004 Å
• b: 7.727 ± 0.0004 Å
• c: 11.325 ± 0.0006 Å
• α: 72.545 ± 0.003°
• β: 77.25 ± 0.004°
• γ: 63.092 ± 0.003°
• Cell volume: 556.83 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.049
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No