Information card for entry 7054197

Structure parameters

• Formula: C28 H46 S2 Si2
• Calculated formula: C28 H46 S2 Si2
• SMILES: c1(c(SCCCCCC)cc(c(c1)SCCCCCC)C#C[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: Multigram synthesis of bis[(trimethylsilyl)ethynyl]benzenes suitable for post-polymerization modification
• Authors of publication: Glöcklhofer, Florian; Lumpi, Daniel; Stöger, Berthold; Fröhlich, Johannes
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 6
• Pages of publication: 2229
• a: 26.9821 ± 0.0016 Å
• b: 6.2025 ± 0.0003 Å
• c: 18.9375 ± 0.0011 Å
• α: 90°
• β: 103.184 ± 0.002°
• γ: 90°
• Cell volume: 3085.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0513
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No