Information card for entry 4115275

Structure parameters

• Formula: C26 H22 N2 O8
• Calculated formula: C26 H22 N2 O8
• SMILES: O([C@](COC(=O)c1ccc(N(=O)=O)cc1)(C)[C@H](C=C)c1ccccc1)C(=O)c1ccc(N(=O)=O)cc1.O([C@@](COC(=O)c1ccc(N(=O)=O)cc1)(C)[C@@H](C=C)c1ccccc1)C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Diastereoselective Addition of γ-Substituted Allylic Nucleophiles to Ketones: Highly Stereoselective Synthesis of Tertiary Homoallylic Alcohols Using an Allylic Tributylstannane/Stannous Chloride System
• Authors of publication: Makoto Yasuda; Kay Hirata; Mitsuyoshi Nishino; Akihiro Yamamoto; Akio Baba
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13442 - 13447
• a: 10.421 ± 0.002 Å
• b: 12.772 ± 0.002 Å
• c: 10.248 ± 0.001 Å
• α: 91.75 ± 0.01°
• β: 110.754 ± 0.009°
• γ: 106.06 ± 0.01°
• Cell volume: 1213.1 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No