Information card for entry 7201324

Structure parameters

• Formula: C10 H4 N2 S4
• Calculated formula: C10 H4 N2 S4
• SMILES: c1(ccc(s1)SC#N)c1ccc(s1)SC#N
• Title of publication: Oligothiophenes substituted with the thionitrile group: synthesis, characterization, and thin-film formation on gold substrates
• Authors of publication: Morgan, Ian S.; D'Aleo, Danielle N.; Hudolin, Marissa L.; Chen, Aicheng; Assoud, Abdeljalil; Jenkins, Hilary A.; MacKinnon, Craig D.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 43
• Pages of publication: 8162
• a: 3.9636 ± 0.0012 Å
• b: 16.715 ± 0.005 Å
• c: 8.572 ± 0.003 Å
• α: 90°
• β: 92.157 ± 0.005°
• γ: 90°
• Cell volume: 567.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No