Information card for entry 7221155

Structure parameters

• Formula: C32 H34 N2 O2 S2
• Calculated formula: C32 H34 N2 O2 S2
• SMILES: c12sc3ccccc3c1N(C(=O)/C2=C1\c2c(c3c(cccc3)s2)N(C1=O)CCCCCC)CCCCCC
• Title of publication: Design and Structure-Property Relationship of Benzothienoisoindigo in Organic Field Effect Transistors
• Authors of publication: Hasegawa, Tsukasa; Ashizawa, Minoru; Matsumoto, Hidetoshi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.05526 ± 0.00009 Å
• b: 8.31652 ± 0.00015 Å
• c: 16.4731 ± 0.0003 Å
• α: 79.8632 ± 0.001°
• β: 87.76 ± 0.0012°
• γ: 86.0505 ± 0.001°
• Cell volume: 679.88 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No