Information card for entry 4113991

Structure parameters

• Formula: C19 H25 N O6
• Calculated formula: C19 H25 N O6
• SMILES: C1C[C@H]2OCCC[C@@]2(C)O[C@]1(C)CCOC(=O)c1ccc(cc1)N(=O)=O.C1C[C@@H]2OCCC[C@]2(C)O[C@@]1(C)CCOC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Regioselective and Enantiospecific Rhodium-Catalyzed Allylic Alkylation Reactions Using Copper(I) Enolates: Synthesis of (-)-Sugiresinol Dimethyl Ether
• Authors of publication: P. Andrew Evans; David K. Leahy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8974 - 8975
• a: 6.9308 ± 0.0018 Å
• b: 7.6574 ± 0.0019 Å
• c: 33.874 ± 0.009 Å
• α: 90°
• β: 92.563 ± 0.006°
• γ: 90°
• Cell volume: 1796 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No