Information card for entry 4514065

Structure parameters

• Formula: C18 H10 O3 S2
• Calculated formula: C18 H10 O3 S2
• SMILES: s1ccc2sc(cc12)C(=O)c1cc2ccccc2cc1C(=O)O
• Title of publication: Asymmetric Alkylthienyl Thienoacenes Derived from Anthra[2,3-b]thieno[2,3-d]thiophene for Solution-Processable Organic Semiconductors.
• Authors of publication: Ogawa, Yuta; Yamamoto, Kazuhiro; Miura, Chiyo; Tamura, Shigeki; Saito, Mitsuki; Mamada, Masashi; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 9902 - 9909
• a: 5.4841 ± 0.0001 Å
• b: 12.2105 ± 0.0003 Å
• c: 12.4889 ± 0.0003 Å
• α: 63.407 ± 0.002°
• β: 84.94 ± 0.002°
• γ: 89.691 ± 0.002°
• Cell volume: 744.37 ± 0.03 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0349
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No