Information card for entry 7127205

Structure parameters

• Formula: C70 H76 N4 O8 S2
• Calculated formula: C69.9992 H75.9984 N4 O8 S2
• Title of publication: Naphthalene diimide-incorporated helical thienoacene: a helical molecule with high electron mobility, good solubility, and thermally stable solid phase.
• Authors of publication: Ohtsuka, Nobuhiko; Nakano, Masahiro; Nakagawa, Sae; Shahiduzzaman, Md; Karakawa, Makoto; Taima, Tetsuya; Minoura, Mao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12343 - 12346
• a: 33.803 ± 0.007 Å
• b: 13.242 ± 0.003 Å
• c: 13.405 ± 0.003 Å
• α: 90°
• β: 108.746 ± 0.003°
• γ: 90°
• Cell volume: 5682 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.4268 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No