Information card for entry 4113472

Structure parameters

• Common name: 5d(SnCl4
• Formula: C24 H50 Cl6 N6 O2 P2 Sn
• Calculated formula: C24 H50 Cl6 N6 O2 P2 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)[O]=P2(N([C@@H]3CCCC[C@H]3N2C)C)N(C)CCCCCN(P2(=[O]1)N(C)[C@H]1[C@H](N2C)CCCC1)C.ClCCl
• 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: 13.5318 ± 0.0008 Å
• b: 19.2882 ± 0.0011 Å
• c: 15.2523 ± 0.0008 Å
• α: 90°
• β: 111.847 ± 0.001°
• γ: 90°
• Cell volume: 3695 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No