Information card for entry 4515427

Structure parameters

• Formula: C26 H8 F2 N4 S4
• Calculated formula: C26 H8 F2 N4 S4
• SMILES: c1cc2c(c3c(cc4c5c(ccs5)sc4c3)s2)s1.C1(C(F)=CC(C(F)=C1)=C(C#N)C#N)=C(C#N)C#N
• Title of publication: Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.
• Authors of publication: Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 10262 - 10269
• a: 7.689 ± 0.005 Å
• b: 7.978 ± 0.006 Å
• c: 9.302 ± 0.006 Å
• α: 101.11 ± 0.06°
• β: 99.66 ± 0.05°
• γ: 96.12 ± 0.06°
• Cell volume: 546.3 ± 0.7 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: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No