Information card for entry 4510952

Structure parameters

• Formula: C30 H12 F6 N2 O2 S4
• Calculated formula: C30 H12 F6 N2 O2 S4
• SMILES: c1c(c2ncc(s2)c2sc3c(c2)C(=O)c2sc(c4cnc(c5ccc(C(F)(F)F)cc5)s4)cc2C3=O)ccc(C(F)(F)F)c1
• Title of publication: Novel semiconducting quinone for air-stable n-type organic field-effect transistors.
• Authors of publication: Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1303 - 1307
• a: 6.4637 ± 0.0013 Å
• b: 7.656 ± 0.0015 Å
• c: 14.491 ± 0.003 Å
• α: 77.613 ± 0.004°
• β: 81.666 ± 0.005°
• γ: 67.213 ± 0.005°
• Cell volume: 644.2 ± 0.2 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No