Information card for entry 7200488

Structure parameters

• Formula: C24 H14 S2
• Calculated formula: C24 H14 S2
• SMILES: c1(sc(cc1)C#Cc1ccccc1)c1ccc(C#Cc2ccccc2)s1
• Title of publication: New type of organic semiconductors for field-effect transistors with carbon-carbon triple bonds
• Authors of publication: Meng, Qing; Gao, Jianhua; Li, Rongjin; Jiang, Lang; Wang, Chengliang; Zhao, Huaping; Liu, Caiming; Li, Hongxiang; Hu, Wenping
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 1477
• a: 32.633 ± 0.007 Å
• b: 4.9552 ± 0.001 Å
• c: 11.018 ± 0.002 Å
• α: 90°
• β: 104.7 ± 0.03°
• γ: 90°
• Cell volume: 1723.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No