Information card for entry 4001018

Structure parameters

• Formula: C30 H16 S6
• Calculated formula: C30 H16 S6
• SMILES: c1ccc(cc1)c1sc2c(c1)c1c(s2)sc(c1)/C=C/c1sc2c(c1)c1c(s2)sc(c1)c1ccccc1
• Title of publication: High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene
• Authors of publication: Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1993
• a: 26.259 ± 0.005 Å
• b: 7.36 ± 0.0015 Å
• c: 6.1739 ± 0.0012 Å
• α: 90°
• β: 94.51 ± 0.03°
• γ: 90°
• Cell volume: 1189.5 ± 0.4 ų
• Cell temperature: 113 ± 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 all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No