Information card for entry 4001672

Structure parameters

• Formula: C30 H10 F6 N2 O4 S2
• Calculated formula: C30 H10 F6 N2 O4 S2
• SMILES: O=C(C(F)(F)F)c1ccc(cc1)c1nc2c(s1)c1c(C2=O)cc2c(c1)C(=O)c1c2sc(n1)c1ccc(cc1)C(=O)C(F)(F)F
• Title of publication: Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit
• Authors of publication: Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3285
• a: 13.4677 ± 0.0011 Å
• b: 4.7775 ± 0.0003 Å
• c: 18.7642 ± 0.0016 Å
• α: 90°
• β: 94.002 ± 0.005°
• γ: 90°
• Cell volume: 1204.38 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No