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note
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1H NMR were prepared by stirring an excess of solid bis-ns-CB[10] with a solution of known concentration of guest. Integration of the resonances for host and guest allowed a determination of the relative stoichiometry (n:n).
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55
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67651101303
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note
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The methylated N-atoms of 4 destabilize the bis-ns-CB[10]·4 complex due to steric interactions with the ureidyl C{double bond, long}O portals of the host.
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56
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1242274616
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Kim's group previously reported that a cyclic pentamer formed between CB[8] and a guest containing two binding groups. We suspect that the aggregates described here may be structurally similar. See:
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Kim's group previously reported that a cyclic pentamer formed between CB[8] and a guest containing two binding groups. We suspect that the aggregates described here may be structurally similar. See:. Ko Y.H., Kim K., Kang J.-K., Chun H., Lee J.W., Sakamoto S., Yamaguchi K., Fettinger J.C., and Kim K. J. Am. Chem. Soc. 126 (2004) 1932-1933
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Kim, K.9
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59
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67651099346
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note
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2, which suggests that 1:1 complex bis-ns-CB[10]·8 may also be present in this solution.
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60
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67651122217
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note
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+ state.
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61
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67651096347
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note
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The NMR samples are prepared from solid host and a solution of guest. The excess unbound host bis-ns-CB[10] remains insoluble and is removed before transferring the solution to an NMR tube for analysis.
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67651087707
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note
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For a more complete description of this top-center isomerism and experimental observation of the diastereomers in simpler systems see Ref. 7. If homotropic allostery is not followed then an additional 12 diastereomers are possible.
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63
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33746923434
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Related phenomena have been observed by other groups. See:
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Related phenomena have been observed by other groups. See:. Sobransingh D., and Kaifer A.E. Org. Lett. 8 (2006) 3247-3250
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note
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2·CB[6] is the top-top diastereomer depicted. The alternate center-center diastereomer would suffer from increased repulsive interactions between ureidyl carbonyl portals of CB[6] and bis-ns-CB[10].
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