Information card for entry 4115277

Structure parameters

• Formula: C17 H22 O2
• Calculated formula: C17 H22 O2
• SMILES: O1[C@](COC1(C)C)([C@@H]1C=CCCC1)c1ccccc1.O1[C@@](COC1(C)C)([C@H]1C=CCCC1)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: 16.063 ± 0.002 Å
• b: 16.375 ± 0.002 Å
• c: 5.6664 ± 0.0009 Å
• α: 90°
• β: 96.211 ± 0.004°
• γ: 90°
• Cell volume: 1481.7 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 2.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No