Information card for entry 1516419

Structure parameters

• Formula: C24 H12 F6 O2 S2
• Calculated formula: C24 H12 F6 O2 S2
• SMILES: O=C(C(F)(F)F)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)C(=O)C(F)(F)F
• Title of publication: Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer
• Authors of publication: Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 39
• Pages of publication: 17189
• a: 6.844 ± 0.006 Å
• b: 22.211 ± 0.019 Å
• c: 13.877 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109 ± 3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No