Information card for entry 4133628

Structure parameters

• Formula: C69 H90 N6 O Si2
• Calculated formula: C69 H90 N6 O Si2
• SMILES: [Si]123([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)c1c4Oc5c([Si](N(/C(=N/C(C)(C)C)c6ccccc6)C(C)(C)C)(C\2=N/c2c(C)cccc2C)C\3=N/c2c(cccc2C)C)cccc5C(c4ccc1)(C)C.CCCCCC
• Title of publication: Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.
• Authors of publication: Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 626 - 634
• a: 12.8721 ± 0.0006 Å
• b: 13.2729 ± 0.0007 Å
• c: 20.801 ± 0.0009 Å
• α: 102.478 ± 0.004°
• β: 90.872 ± 0.004°
• γ: 116.307 ± 0.005°
• Cell volume: 3085.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No