Information card for entry 7237336

Structure parameters

• Formula: C68 H56 F4 N8 S6
• Calculated formula: C68 H56 F8 N8 S6
• Title of publication: Oligothiophene quinoids containing a benzo[c]thiophene unit for the stabilization of the quinoidal electronic structure
• Authors of publication: Yamamoto, Keitaro; Ie, Yutaka; Nitani, Masashi; Tohnai, Norimitsu; Kakiuchi, Fumitoshi; Zhang, Ke; Pisula, Wojciech; Asadi, Kamal; Blom, Paul W. M.; Aso, Yoshio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 28
• Pages of publication: 7493
• a: 8.196 ± 0.0001 Å
• b: 17.4528 ± 0.0003 Å
• c: 22.7194 ± 0.0004 Å
• α: 85.2769 ± 0.0007°
• β: 88.8887 ± 0.0009°
• γ: 79.7843 ± 0.0011°
• Cell volume: 3187.44 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No