Information card for entry 7238380

Structure parameters

• Formula: C48 H48 N2 S4
• Calculated formula: C48 H48 N2 S4
• Title of publication: Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups
• Authors of publication: Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 14959
• a: 9.758 ± 0.0012 Å
• b: 12.2984 ± 0.0013 Å
• c: 18.563 ± 0.002 Å
• α: 99.104 ± 0.003°
• β: 103.488 ± 0.002°
• γ: 102.84 ± 0.002°
• Cell volume: 2059.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No