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84992283607
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From the titration of the DKP having both of methyl and t-butyl groups, the t-butyl group sits more preferentially within the cavity than the methyl group. The selectivity is in a ratio of about 6:1 (t-Bu:Me), determined by comparing the complexation-induced shifts of these groups.
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21
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84986437005
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Still, W.C.9
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23
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84992249009
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note
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The complexation-induced shift (CIS) of the alkyl substituents support the calculated structure of the complexes in which the alkyl substituent resides within the cavity.
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24
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0026319199
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25
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84992235646
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note
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The Grasp program can calculate only closed cavity volumes. An extra three benzene rings were put on the upper rim of the calix(5)arene having methyl substituents at each para position of the phenolic ring.
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26
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0033521668
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