Information card for entry 1555685

Structure parameters

• Formula: C45 H28 F18 N4 S2
• Calculated formula: C45 H28 F18 N4 S2
• SMILES: s1c(ccc1c1ccc2c3ccc(c4sc(C(=C(C#N)C#N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc4)cc3C(c2c1)(CCCC)CCCC)C(=C(C#N)C#N)C(F)(F)C(F)(F)C(F)(F)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: 9.3041 ± 0.00017 Å
• b: 17.8786 ± 0.0004 Å
• c: 26.0132 ± 0.0019 Å
• α: 90°
• β: 94.968 ± 0.007°
• γ: 90°
• Cell volume: 4310.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No