Information card for entry 4115273

Structure parameters

• Formula: C19 H18 Cl N O4
• Calculated formula: C19 H18 Cl N O4
• SMILES: Clc1ccc(cc1)[C@](OC(=O)c1ccc(N(=O)=O)cc1)([C@@H](C)C=C)C.Clc1ccc(cc1)[C@@](OC(=O)c1ccc(N(=O)=O)cc1)([C@H](C)C=C)C
• 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: 10.499 ± 0.003 Å
• b: 13.601 ± 0.003 Å
• c: 13.298 ± 0.002 Å
• α: 90°
• β: 108.39 ± 0.02°
• γ: 90°
• Cell volume: 1801.9 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 2.333
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No