Information card for entry 1505169

Structure parameters

• Common name: T-dinonylT2-T
• Chemical name: poly(2-[2,2']bithiophen-5-yl-3,6-dinonylthieno[3,2-b]thiophene)
• Formula: C32 H44 S4
• Calculated formula: C32 H44 S4
• Title of publication: Dialkyl-Substituted Thieno[3,2-b]thiophene-Based Polymers Containing 2,2‘-Bithiophene, Thieno[3,2-b]thiophene, and Ethynylene Spacers
• Authors of publication: San Miguel, Lidaris; Matzger, Adam J.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 9233
• a: 4.80255 ± 0.00009 Å
• b: 9.70196 ± 0.00018 Å
• c: 17.3834 ± 0.0003 Å
• α: 95.195 ± 0.001°
• β: 99.137 ± 0.001°
• γ: 97.232 ± 0.001°
• Cell volume: 788.26 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No