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6]DMSO the fumaramide station is still occupied by the macrocycle for at least 85% of the time.
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33
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N. L. Allinger, Y. H. Yuh, J. H. Lii, J. Am. Chem. Soc. 1989, 111, 8551-8582.
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(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8551-8582
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Allinger, N.L.1
Yuh, Y.H.2
Lii, J.H.3
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36
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0037116503
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F. Biscarini, M. Cavallini, D. A. Leigh, S. León, S. J. Teat, J. K. Y. Wong, F. Zerbetto, J. Am. Chem. Soc. 2002, 124, 225-233.
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(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 225-233
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Biscarini, F.1
Cavallini, M.2
Leigh, D.A.3
León, S.4
Teat, S.J.5
Wong, J.K.Y.6
Zerbetto, F.7
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37
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0037750690
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note
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-1; equilibrium H-bonding separation: 2.78 Å).
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38
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0038427019
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note
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The rotaxane structures shown illustrate the position of the macrocycle on the thread and particularly favored intercomponent hydrogen-bonding motifs. Most of the low-energy coconformations of the rotaxanes are probably folded with the unoccupied station folding back to hydrogen bond to the macrocycle.
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