Information card for entry 1565122

Structure parameters

• Formula: C30 H28 S2
• Calculated formula: C30 H28 S2
• SMILES: s1c2cc3ccccc3cc2c2sc3c(cc4ccc(cc4c3)C[C@H](CCCC)CC)c12
• Title of publication: Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.
• Authors of publication: Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 444 - 451
• a: 6.0023 ± 0.0002 Å
• b: 8.1084 ± 0.0002 Å
• c: 24.3715 ± 0.0005 Å
• α: 98.319 ± 0.002°
• β: 94.455 ± 0.002°
• γ: 92.83 ± 0.002°
• Cell volume: 1167.9 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No