Information card for entry 1545588

Structure parameters

• Formula: C26 H12 N4 S2
• Calculated formula: C26 H12 N4 S2
• SMILES: s1c2ccccc2c2sc3ccccc3c12.N#CC(C#N)=C1C=CC(=C(C#N)C#N)C=C1
• 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: 7.1933 ± 0.0009 Å
• b: 8.0044 ± 0.001 Å
• c: 9.0183 ± 0.0012 Å
• α: 81.181 ± 0.006°
• β: 89.31 ± 0.006°
• γ: 87.721 ± 0.005°
• Cell volume: 512.7 ± 0.11 ų
• Cell temperature: 279 K
• Ambient diffraction temperature: 279 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.2708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No