Information card for entry 7060720

Structure parameters

• Formula: C30 H38 O2 S2 Si2
• Calculated formula: C30 H38 O2 S2 Si2
• 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: 22.03 ± 0.0017 Å
• b: 7.548 ± 0.0006 Å
• c: 20.8392 ± 0.0016 Å
• α: 90°
• β: 121.727 ± 0.001°
• γ: 90°
• Cell volume: 2947.4 ± 0.4 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: 0.0462
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No