Information card for entry 4003187

Structure parameters

• Formula: C48 H44 F6 N2 O4 S2
• Calculated formula: C48 H44 F6 N2 O4 S2
• Title of publication: α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors
• Authors of publication: Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 6418
• a: 4.7594 ± 0.0016 Å
• b: 13.444 ± 0.003 Å
• c: 16.816 ± 0.006 Å
• α: 107.754 ± 0.014°
• β: 95.034 ± 0.016°
• γ: 90.919 ± 0.019°
• Cell volume: 1019.7 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1792
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.3132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No