Information card for entry 4002007

Structure parameters

• Formula: C28 H14 F6 N2 S2 Se
• Calculated formula: C28 H14 F6 N2 S2 Se
• SMILES: [se]1nc2c(ccc(c2n1)c1sc(cc1)c1ccc(cc1)C(F)(F)F)c1sc(cc1)c1ccc(cc1)C(F)(F)F
• Title of publication: High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles
• Authors of publication: Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1218
• a: 42.18 ± 0.05 Å
• b: 5.898 ± 0.007 Å
• c: 19.17 ± 0.03 Å
• α: 90°
• β: 99.78 ± 0.06°
• γ: 90°
• Cell volume: 4700 ± 11 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No