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Abstract
The crystal structure of β-cyclodextrin, C42H70O35·10.41H2O, consists of truncated cone-shaped β-cyclodextrin molecules that are herringbone packed. The primary hydroxy groups form an intramolecular hydrogen-bonded array. The semipolar cavity of the cyclodextrin host is filled with water molecules, which show partial occupancy and disorder.
Highlights
The crystal structure of -cyclodextrin, C42H70O3510.41H2O, consists of truncated cone-shaped -cyclodextrin molecules that are herringbone packed
The semipolar cavity of the cyclodextrin host is filled with water molecules, which show partial occupancy and disorder
Primary atom site location: the initial coordinates of the β-cyclodextrin scaffold were taken from Lindner & Saenger (1982)
Summary
Data collection a Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse. 150, 44780 Bochum, Germany, and bDepartment of Analytical Chemistry, University of Sofia St. Kliment Ohridski, J. Key indicators: single-crystal X-ray study; T = 110 K; mean (C–C) = 0.004 Å; Hatom completeness 91%; disorder in main residue; R factor = 0.032; wR factor =. The crystal structure of -cyclodextrin, C42H70O3510.41H2O, consists of truncated cone-shaped -cyclodextrin molecules that are herringbone packed. The primary hydroxy groups form an intramolecular hydrogen-bonded array. The semipolar cavity of the cyclodextrin host is filled with water molecules, which show partial occupancy and disorder
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