Information card for entry 2225525

Structure parameters

• Chemical name: 1,4-Bis[4-(<i>tert-</i>-butyldiphenylsilyl)buta-1,3-diynyl]benzene
• Formula: C46 H42 Si2
• Calculated formula: C46 H42 Si2
• SMILES: C(#CC#Cc1ccc(C#CC#C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: 1,4-Bis[4-(<i>tert</i>-butyldiphenylsilyl)buta-1,3-diynyl]benzene
• Authors of publication: Thevenet, Damien; Neier, Reinhard; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o839 - o840
• a: 8.535 ± 0.001 Å
• b: 17.206 ± 0.0014 Å
• c: 13.4923 ± 0.0014 Å
• α: 90°
• β: 104.064 ± 0.009°
• γ: 90°
• Cell volume: 1922 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes