Information card for entry 1545589

Structure parameters

• Formula: C26 H10 F2 N4 S2
• Calculated formula: C26 H10 F2 N4 S2
• SMILES: s1c2ccccc2c2sc3ccccc3c12.FC1C(=C(C#N)C#N)C=C(F)C(=C(C#N)C#N)C=1
• Title of publication: Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors
• Authors of publication: Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• a: 7.1608 ± 0.0007 Å
• b: 7.9489 ± 0.0012 Å
• c: 9.1084 ± 0.0012 Å
• α: 80.928 ± 0.011°
• β: 89.567 ± 0.011°
• γ: 87.878 ± 0.012°
• Cell volume: 511.62 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No