Information card for entry 2016451

Structure parameters

• Chemical name: 2,5-Diethoxy-1,4-bis[(trimethylsilyl)ethynyl]benzene
• Formula: C20 H30 O2 Si2
• Calculated formula: C20 H30 O2 Si2
• SMILES: C(#Cc1cc(c(C#C[Si](C)(C)C)cc1OCC)OCC)[Si](C)(C)C
• Title of publication: Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives
• Authors of publication: Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o33 - o36
• a: 10.132 ± 0.001 Å
• b: 9.887 ± 0.002 Å
• c: 12.169 ± 0.004 Å
• α: 90°
• β: 107.46 ± 0.02°
• γ: 90°
• Cell volume: 1162.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes