Information card for entry 1504535

Structure parameters

• Formula: C15 H6 F2 O2 S3
• Calculated formula: C15 H6 F2 O2 S3
• SMILES: s1c(c2sccc2)c2c(c1c1sccc1)C(=O)C(F)(F)C2=O
• Title of publication: Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances.
• Authors of publication: Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 833 - 836
• a: 15.6617 ± 0.0005 Å
• b: 14.8817 ± 0.0005 Å
• c: 17.7747 ± 0.0006 Å
• α: 90°
• β: 91.2299 ± 0.001°
• γ: 90°
• Cell volume: 4141.8 ± 0.2 ų
• Cell temperature: 200.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 2.523
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No