Information card for entry 8000077

Structure parameters

• Formula: C23 H6 F10 O2 S2
• Calculated formula: C23 H6 F10 O2 S2
• SMILES: s1c(cc2c1c1sc(cc1C12OCCO1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 8.8519 ± 0.0002 Å
• b: 9.6987 ± 0.0002 Å
• c: 13.1288 ± 0.0003 Å
• α: 70.3916 ± 0.001°
• β: 78.2754 ± 0.0013°
• γ: 82.4345 ± 0.0013°
• Cell volume: 1037.15 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No