Information card for entry 4515428

Structure parameters

• Formula: C26 H10 N4 S4
• Calculated formula: C26 H10 N4 S4
• SMILES: c1cc2c(c3c(cc4c5c(ccs5)sc4c3)s2)s1.N#CC(=C1C=CC(C=C1)=C(C#N)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: 7.5661 ± 0.001 Å
• b: 7.974 ± 0.0015 Å
• c: 9.2855 ± 0.0015 Å
• α: 101.154 ± 0.015°
• β: 99.186 ± 0.013°
• γ: 95.844 ± 0.013°
• Cell volume: 537.47 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No