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- W2032393043 abstract "Crystals of the hydrated n-propanol inclusion complex of γ-cyclodextrin (γ-CD; cyclo-octaamylose) have space group P4, a = b = 23.759(7), c = 23.069(7)Å and six quarter γ-CD per asymmetric unit. The structure was solved by YZARC and refined to R = 14% using 6300 X-ray counter data. The γ-CD are stacked, n-propanol (not located) occupies the channel-type cavity and 27 water sites populate interstices between stacks. Within the stacks γ-CD are arranged head-to-head as well as head-to-tail and H-bonded with O(2), O(3), O(6) hydroxyls. In the series α-,β-,γ-CD, angles C(1′)-O(4)-C(4) reduce from 119°-117.7°-112.6°, virtual O(4′)⋯O(4) distances increase 4.23-4.39-4.48 Å. intramolecular H-bonding distances O(2)⋯O(3) between adjacent glucoses, 3.00 Å in α-CD are wider than ∼2.83 Å in β- and γ-CD, indicating a greater flexibility of the former." @default.
- W2032393043 created "2016-06-24" @default.
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- W2032393043 date "1980-02-01" @default.
- W2032393043 modified "2023-10-17" @default.
- W2032393043 title "Crystal structure of the γ-cyclodextrin n-propanol inclusion complex; Correlation of α-, β-, γ-cyclodextrin geometries" @default.
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- W2032393043 doi "https://doi.org/10.1016/0006-291x(80)90792-5" @default.
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