Information card for entry 1529349

Structure parameters

• Formula: C36 H62 Cl2 Cu2 O6 P2 S2
• Calculated formula: C36 H62 Cl2 Cu2 O6 P2 S2
• SMILES: c12c(c(c(cc1)OC)OC)[P](C(C)C)(C(C)C)[Cu]1([Cl][Cu]3([Cl]1)[P](c1c(ccc(c1OC)OC)[S@@]3(C(C)(C)C)=O)(C(C)C)C(C)C)[S@]2(C(C)(C)C)=O
• Title of publication: Copper(I)-Catalyzed Asymmetric Pinacolboryl Addition of N-Boc-imines Using a Chiral Sulfoxide-Phosphine Ligand.
• Authors of publication: Wang, Ding; Cao, Peng; Wang, Bing; Jia, Tao; Lou, Yazhou; Wang, Min; Liao, Jian
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2420 - 2423
• a: 10.6416 ± 0.0003 Å
• b: 13.3076 ± 0.0006 Å
• c: 17.3445 ± 0.0005 Å
• α: 90°
• β: 92.328 ± 0.002°
• γ: 90°
• Cell volume: 2454.2 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0651
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No