Information card for entry 4115271

Structure parameters

• Formula: C38 H31 Cl3 O2
• Calculated formula: C38 H31 Cl3 O2
• SMILES: Clc1ccc(C(CC(=O)O[C@]([C@@H](C=C)c2ccccc2)(c2ccccc2)C)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc(C(CC(=O)O[C@@]([C@H](C=C)c2ccccc2)(c2ccccc2)C)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)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: 14.2 ± 0.001 Å
• b: 9.8919 ± 0.0007 Å
• c: 23.384 ± 0.002 Å
• α: 90°
• β: 92.757 ± 0.002°
• γ: 90°
• Cell volume: 3280.8 ± 0.4 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 4.382
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No