Information card for entry 7105770

Structure parameters

• Formula: C22 H26 N2 O6 Si
• Calculated formula: C22 H26 N2 O6 Si
• SMILES: [Si](c1ccccc1)([C@H]1[C@@H](CCCC1)COC(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O)(C)C.[Si](c1ccccc1)([C@@H]1[C@H](CCCC1)COC(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O)(C)C
• Title of publication: Nickel-catalysed Cross-coupling Reaction of Aryl(triorgano)silanes with Aryl Chlorides and Tosylates
• Authors of publication: Shi Tang; Masahide Takeda; Yoshiaki Nakao; Tamejiro Hiyama
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 307
• a: 7.895 ± 0.005 Å
• b: 9.843 ± 0.006 Å
• c: 14.78 ± 0.009 Å
• α: 86.269 ± 0.01°
• β: 88.77 ± 0.011°
• γ: 83.748 ± 0.012°
• Cell volume: 1139.2 ± 1.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK(Jα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No