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The absolute configuration of the [4+2] product was determined by the X-ray analysis of compound 3b. CCDC-951077 (3b) contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via. For details of the crystallographic data, please also see Table S3 in the Supporting Information.
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The absolute configuration of the [4+2] product was determined by the X-ray analysis of compound 3b. CCDC-951077 (3b) contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cif. For details of the crystallographic data, please also see Table S3 in the Supporting Information.
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To reduce the computational cost, the calculation was for a methyl group instead of an ethyl group of allenoate. The experimental e.r. values of β-ICD and 5 -mediated reaction between (E)-3-(benzylidene)benzofuran-2-one and methyl allenoate were 95:5 and 13:87 respectively, which were obtained under identical conditions.
-
To reduce the computational cost, the calculation was for a methyl group instead of an ethyl group of allenoate. The experimental e.r. values of β-ICD and 5 -mediated reaction between (E)-3-(benzylidene)benzofuran-2-one and methyl allenoate were 95:5 and 13:87 respectively, which were obtained under identical conditions.
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During the preparation of this manuscript, two computational studies of achiral Lewis base catalyzed cycloaddition of allenoates were reported, see
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