Information card for entry 1555684

Structure parameters

• Formula: C32 H28 F6 N4 S2
• Calculated formula: C32 H28 F6 N4 S2
• SMILES: c1(cc2c(s1)c(c1cc(C(=C(C#N)C#N)C(F)(F)F)sc1c2CCCCCC)CCCCCC)C(=C(C#N)C#N)C(F)(F)F
• Title of publication: Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.
• Authors of publication: Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4320 - 4323
• a: 41.1943 ± 0.0008 Å
• b: 41.1943 ± 0.0008 Å
• c: 4.9303 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7245.7 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No