Information card for entry 1516669

Structure parameters

• Formula: C40 H50 S Si2
• Calculated formula: C40 H50 S Si2
• SMILES: [Si](C#CC1=c2sc3=C(c4c(c3c2c2c1cccc2)cccc4)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials
• Authors of publication: Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 3627
• a: 8.3989 ± 0.0009 Å
• b: 12.4017 ± 0.001 Å
• c: 17.7936 ± 0.0019 Å
• α: 88.626 ± 0.006°
• β: 88.89 ± 0.008°
• γ: 81.912 ± 0.006°
• Cell volume: 1834.2 ± 0.3 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: 0.0511
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No