Information card for entry 7153757

Structure parameters

• Formula: C35 H48 N4 O12 Si2
• Calculated formula: C35 H48 N4 O12 Si2
• SMILES: [Si](C(=C[C@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@H]1C[C@@H](OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)CCC1)[Si](CC)(CC)CC)(CC)(CC)CC.[Si](C(=C[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@@H]1C[C@H](OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)CCC1)[Si](CC)(CC)CC)(CC)(CC)CC
• Title of publication: Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.
• Authors of publication: Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 3021 - 3025
• a: 8.2957 ± 0.0008 Å
• b: 9.7941 ± 0.001 Å
• c: 27.385 ± 0.003 Å
• α: 81.1 ± 0.008°
• β: 84.633 ± 0.008°
• γ: 87.844 ± 0.008°
• Cell volume: 2188 ± 0.4 ų
• Cell temperature: 294.04 ± 0.1 K
• Ambient diffraction temperature: 294.04 ± 0.1 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: 0.1169
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No