Information card for entry 4001111

Structure parameters

• Formula: C22 H10 S4
• Calculated formula: C22 H10 S4
• SMILES: c1cc2c(s1)c1sccc1c1c2cc2c(c1)c1ccsc1c1c2ccs1
• Title of publication: Two-Dimensional Structural Motif in Thienoacene Semiconductors: Synthesis, Structure, and Properties of Tetrathienoanthracene Isomers
• Authors of publication: Brusso, Jaclyn L.; Hirst, Oliver D.; Dadvand, Afshin; Ganesan, Srinivasan; Cicoira, Fabio; Robertson, Craig M.; Oakley, Richard T.; Rosei, Federico; Perepichka, Dmitrii F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 2484
• a: 12.3815 ± 0.0014 Å
• b: 5.257 ± 0.0006 Å
• c: 12.7975 ± 0.0015 Å
• α: 90°
• β: 97.753 ± 0.002°
• γ: 90°
• Cell volume: 825.37 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No