Information card for entry 1507659

Structure parameters

• Formula: C20 H14 O4 S4
• Calculated formula: C20 H14 O4 S4
• Title of publication: Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene
• Authors of publication: Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki
• Journal of publication: Macromolecules
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3759
• a: 8.298 ± 0.008 Å
• b: 10.14 ± 0.01 Å
• c: 11.904 ± 0.012 Å
• α: 71.983 ± 0.015°
• β: 82.531 ± 0.015°
• γ: 89.837 ± 0.015°
• Cell volume: 943.7 ± 1.6 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No