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The same process allowed the structural elucidation of α-CD 15, see the Supporting Information.
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The same process allowed the structural elucidation of α-CD 15, see the Supporting Information.
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A good illustration of this assumption was published after the submission of this manuscript: S. Hanessian, C. Hocquelet, C. K. Jakowski, Synlett 2008, 715-719.
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A good illustration of this assumption was published after the submission of this manuscript: S. Hanessian, C. Hocquelet, C. K. Jakowski, Synlett 2008, 715-719.
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54749138516
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Molecular mechanics calculations were performed using the OPLS-2005 force field in the MACROMODEL 7.0 package. Aluminum centers were added to an X-ray structure of β-CD to model the desired compound using the BUILDER option of MAESTRO before transfer to MACROMODEL. Energy optimization was then carried out using standard conjugate gradient minimizations until convergence was reached.
-
Molecular mechanics calculations were performed using the OPLS-2005 force field in the MACROMODEL 7.0 package. Aluminum centers were added to an X-ray structure of β-CD to model the desired compound using the BUILDER option of MAESTRO before transfer to MACROMODEL. Energy optimization was then carried out using standard conjugate gradient minimizations until convergence was reached.
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54749149479
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For α-CD and nonregioselective synthesis of related β-CD compounds, see
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For α-CD and nonregioselective synthesis of related β-CD compounds, see Ref. [20].
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Ref1
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