Information card for entry 4115274

Structure parameters

• Formula: C23 H21 N O4
• Calculated formula: C23 H21 N O4
• SMILES: O([C@](c1c2c(ccc1)cccc2)([C@H](C=C)C)C)C(=O)c1ccc(N(=O)=O)cc1.O([C@@](c1c2c(ccc1)cccc2)([C@@H](C=C)C)C)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: 11.656 ± 0.002 Å
• b: 12.003 ± 0.002 Å
• c: 7.257 ± 0.003 Å
• α: 92.12 ± 0.02°
• β: 101.38 ± 0.02°
• γ: 91.17 ± 0.02°
• Cell volume: 994.3 ± 0.5 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: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No