Information card for entry 7204272

Structure parameters

• Formula: C14 H10 S5
• Calculated formula: C14 H10 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: 20.6948 ± 0.0007 Å
• b: 8.789 ± 0.0003 Å
• c: 7.7472 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.11 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No