Information card for entry 1507657

Structure parameters

• Formula: C40 H38 Cl2 O4 S4
• Calculated formula: C42 H38 Cl2.272 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: 13.852 ± 0.007 Å
• b: 10.083 ± 0.005 Å
• c: 14.448 ± 0.007 Å
• α: 90°
• β: 90.117 ± 0.007°
• γ: 90°
• Cell volume: 2017.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.281
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.636
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No