Information card for entry 1548191

Structure parameters

• Chemical name: (1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe
• Formula: C34 H50 Cl N3 O4 S Si
• Calculated formula: C34 H50 Cl N3 O4 S Si
• SMILES: [Cl-].S(=O)(=O)(N1CCC(CC[C@@H]2[C@@H]3C[C@H]([NH+](C2)CC3)[C@H](O[Si](C)(C)C)c2c3ccccc3ncc2)CC1)c1ccc(cc1)C.O
• Title of publication: Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation
• Authors of publication: Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11129
• a: 11.197 ± 0.0001 Å
• b: 11.9551 ± 0.0001 Å
• c: 14.1022 ± 0.0002 Å
• α: 90°
• β: 108.316 ± 0.001°
• γ: 90°
• Cell volume: 1792.1 ± 0.04 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2767
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No