Information card for entry 4115276

Structure parameters

• Formula: C17 H18 O2
• Calculated formula: C17 H18 O2
• SMILES: OC[C@](O)([C@H](C=C)c1ccccc1)c1ccccc1.OC[C@@](O)([C@@H](C=C)c1ccccc1)c1ccccc1
• 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: 23.703 ± 0.002 Å
• b: 23.703 ± 0.002 Å
• c: 10.2725 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5771.4 ± 0.8 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No