Information card for entry 7116878

Structure parameters

• Common name: cyclic8T
• Formula: C56 H72 S8 Si4
• Calculated formula: C56 H72 S8 Si4
• SMILES: c12ccc(s1)c1ccc(s1)c1sc(cc1c1cc(sc1c1ccc(c3ccc(s3)c3sc(cc3c3c2sc(c3)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)s1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
• Title of publication: A cyclic octithiophene containing beta,beta'-linkages
• Authors of publication: Kengo Asai; Aiko Fukazawa; Shigehiro Yamaguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6096
• a: 43.196 ± 0.017 Å
• b: 6.377 ± 0.002 Å
• c: 24.5113 ± 0.001 Å
• α: 90°
• β: 115.408 ± 0.005°
• γ: 90°
• Cell volume: 6099 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0911
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No