Information card for entry 8000075

Structure parameters

• Formula: C21 H12 O S2
• Calculated formula: C21 H12 O S2
• Title of publication: Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties
• Authors of publication: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 648
• a: 16.9741 ± 0.0004 Å
• b: 6.496 ± 0.0002 Å
• c: 7.1152 ± 0.0002 Å
• α: 90°
• β: 91.0088 ± 0.0013°
• γ: 90°
• Cell volume: 784.43 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No