Information card for entry 4129450

Structure parameters

• Formula: C18 H14 O4 S4
• Calculated formula: C18 H14 O4 S4
• Title of publication: Multifaceted Regioregular Oligo(thieno[3,4-b]thiophene)s Enabled by Tunable Quinoidization and Reduced Energy Band Gap.
• Authors of publication: Liu, Feng; Espejo, Guzmán L; Qiu, Shuhai; Oliva, María Moreno; Pina, João; Seixas de Melo, J Sérgio; Casado, Juan; Zhu, Xiaozhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10357 - 10366
• a: 5.053 ± 0.002 Å
• b: 10.02 ± 0.005 Å
• c: 17.645 ± 0.009 Å
• α: 90°
• β: 90.903 ± 0.007°
• γ: 90°
• Cell volume: 893.3 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.1029
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.2792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No