Information card for entry 4084166

Structure parameters

• Formula: C20 H29 N O3
• Calculated formula: C20 H29 N O3
• SMILES: O([C@@H](C(=O)N\C=C/[C@@H]([C@H](O)C1CCCCC1)C)c1ccccc1)C
• Title of publication: Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer
• Authors of publication: Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3924
• a: 12.5649 ± 0.0003 Å
• b: 16.7437 ± 0.0005 Å
• c: 17.7868 ± 0.0005 Å
• α: 90°
• β: 91.3756 ± 0.0016°
• γ: 90°
• Cell volume: 3740.96 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No