Information card for entry 7106592

Structure parameters

• Formula: C29 H31 N O10 S
• Calculated formula: C29 H31 N O10 S
• SMILES: S(=O)(=O)(N1[C@H](O[C@H](C1(C(=O)OC)C(=O)OC)c1cc(OC)c(OC)c(OC)c1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H](O[C@@H](C1(C(=O)OC)C(=O)OC)c1cc(OC)c(OC)c(OC)c1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Nickel(II)-catalyzed diastereoselective [3+2] cycloaddition of N-tosyl-aziridines and aldehydes via selective carbon-carbon bond cleavage
• Authors of publication: Xingxing Wu; Lei Li; Junliang Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7824
• a: 11.3456 ± 0.0004 Å
• b: 11.9555 ± 0.0005 Å
• c: 12.1699 ± 0.0005 Å
• α: 83.226 ± 0.001°
• β: 64.752 ± 0.001°
• γ: 78.139 ± 0.001°
• Cell volume: 1460.32 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No