Information card for entry 7054199

Structure parameters

• Formula: C28 H46 O4 S2 Si2
• Calculated formula: C28 H46 O4 S2 Si2
• 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: 10.4283 ± 0.0008 Å
• b: 10.1568 ± 0.0009 Å
• c: 16.254 ± 0.0014 Å
• α: 90°
• β: 100.454 ± 0.003°
• γ: 90°
• Cell volume: 1693 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for significantly intense reflections: 4.53
• Goodness-of-fit parameter for all reflections included in the refinement: 4.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No