Information card for entry 1508658

Structure parameters

• Formula: C22 H10 S4
• Calculated formula: C22 H10 S4
• SMILES: s1c2ccccc2c2sc3c(c12)cc1sc2c4c(sc2c1c3)cccc4
• Title of publication: Largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures: synthesis, characterization, and organic field-effect transistor applications.
• Authors of publication: Yamamoto, Tatsuya; Nishimura, Takeshi; Mori, Takamichi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4914 - 4917
• a: 18.3 ± 0.02 Å
• b: 3.974 ± 0.005 Å
• c: 11.7 ± 0.02 Å
• α: 90 ± 0.003°
• β: 104.608 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 823 ± 2 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No