Information card for entry 7201463

Structure parameters

• Formula: C18 H8 S6
• Calculated formula: C18 H8 S6
• SMILES: C(=C\c1cc2c(c3c(ccs3)s2)s1)/c1cc2c(c3c(s2)ccs3)s1
• Title of publication: Synthesis, packing arrangement and transistor performance of dimers of dithienothiophenes
• Authors of publication: Zhang, Lei; Tan, Lin; Hu, Wenping; Wang, Zhaohui
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 43
• Pages of publication: 8216
• a: 6.1973 ± 0.0012 Å
• b: 4.7149 ± 0.0007 Å
• c: 27.494 ± 0.005 Å
• α: 90°
• β: 95.383 ± 0.011°
• γ: 90°
• Cell volume: 799.8 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No