Information card for entry 7204273

Structure parameters

• Formula: C15 H12 S5
• Calculated formula: C15 H12 S5
• Title of publication: Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT)
• Authors of publication: Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 500
• a: 15.721 ± 0.003 Å
• b: 8.8601 ± 0.0018 Å
• c: 21.597 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No