Information card for entry 7107512

Structure parameters

• Formula: C28 H32 S4
• Calculated formula: C28 H32 S4
• SMILES: s1c2ccccc2c2sc3c(sc(c3)c3sc(cc3)CCCCCCCCCCCC)c12
• Title of publication: An asymmetric oligomer based on thienoacene for solution processed crystal organic thin-film transistors
• Authors of publication: Hongkun Tian; Yang Han; Cheng Bao; Donghang Yan; Yanhou Geng; Fosong Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3557
• a: 5.866 ± 0.0007 Å
• b: 7.5451 ± 0.0009 Å
• c: 56.721 ± 0.007 Å
• α: 91.309 ± 0.002°
• β: 91.191 ± 0.002°
• γ: 90.093 ± 0.002°
• Cell volume: 2509.2 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No