Information card for entry 7060719

Structure parameters

• Formula: C40 H66 S2 Si4
• Calculated formula: C40 H66 S2 Si4
• SMILES: c1(c2cccc(c2c(s1)[Si](C)(C)C(C)(C)C)c1cccc2c(sc(c12)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
• Title of publication: Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings
• Authors of publication: Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13258 - 13261
• a: 7.5572 ± 0.0009 Å
• b: 13.6372 ± 0.0016 Å
• c: 22.295 ± 0.003 Å
• α: 72.523 ± 0.001°
• β: 89.93 ± 0.001°
• γ: 81.09 ± 0.001°
• Cell volume: 2162.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No