Information card for entry 4084167

Structure parameters

• Formula: C28 H31 N O5
• Calculated formula: C28 H31 N O4.5
• SMILES: O([C@H](C(=O)N/C=C\[C@H]([C@](O)([C@@H](OC)c1ccccc1)c1ccccc1)C)c1ccccc1)C.O
• 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: 13.9438 ± 0.0002 Å
• b: 19.1854 ± 0.0003 Å
• c: 9.21828 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.05 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No