Information card for entry 4113474

Structure parameters

• Common name: 7c(SnCl4
• Formula: C26 H46 Cl16 N6 O2 P2 Sn
• Calculated formula: C26 H46 Cl16 N6 O2 P2 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)[O]=P2(N3CCC[C@@H]3[C@H]3CCCN23)N(C)CCCCN(P2(=[O]1)N1CCC[C@@H]1[C@H]1CCCN21)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes
• Authors of publication: Scott E. Denmark; Jiping Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2208 - 2216
• a: 10.332 ± 0.002 Å
• b: 10.332 ± 0.002 Å
• c: 39.809 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3680.3 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2553
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No