Information card for entry 4510296

Structure parameters

• Formula: C20 H12 F2 S2
• Calculated formula: C20 H12 F2 S2
• SMILES: s1c(ccc1c1ccc(F)cc1)c1sc(cc1)c1ccc(F)cc1
• Title of publication: Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface
• Authors of publication: Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1726
• a: 5.7908 ± 0.0001 Å
• b: 7.2544 ± 0.0002 Å
• c: 35.8193 ± 0.0009 Å
• α: 90 ± 0.003°
• β: 94.256 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 1500.58 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.69412 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No