Information card for entry 4003399

Structure parameters

• Formula: C23 H21 N3 O2 S4
• Calculated formula: C23 N3 O2 S4
• SMILES: s1c(nc2c1c1sc(nc1C(=O)N(CCCCCCC)C2=O)c1sccc1)c1sccc1
• Title of publication: Imide-Functionalized Thiazole-Based Polymer Semiconductors: Synthesis, Structure‒Property Correlations, Charge Carrier Polarity, and Thin-Film Transistor Performance
• Authors of publication: Shi, Yongqiang; Guo, Han; Qin, Minchao; Wang, Yuxi; Zhao, Jiuyang; Sun, Huiliang; Wang, Hang; Wang, Yulun; Zhou, Xin; Facchetti, Antonio; Lu, Xinhui; Zhou, Ming; Guo, Xugang
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 7988
• a: 46.45 ± 0.006 Å
• b: 46.45 ± 0.006 Å
• c: 7.164 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13386 ± 4 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.297
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.655
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No