Information card for entry 4515426

Structure parameters

• Formula: C24 H14 N4 S4
• Calculated formula: C24 H14 N4 S4
• SMILES: c1c2c(c3c(cc4c5c(ccs5)sc4c3)s2)sc1.C1(C(C)=CC(C(=C1)C)=NC#N)=NC#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: 7.73 ± 0.003 Å
• b: 7.8084 ± 0.0013 Å
• c: 9.4033 ± 0.0014 Å
• α: 108.145 ± 0.012°
• β: 96.07 ± 0.02°
• γ: 94.06 ± 0.03°
• Cell volume: 533.1 ± 0.2 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 all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No