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Figure 1
Stereo plot of (a) X-ray structure of CA10·23.50H2O at room temperature (Jacob et al., 1998BB4, 1999BB5), (b) and (c) neutron structure of CA10·27.18H2O at 20 K. (a) shows the position of water in CA10·27.18H2O and CA10·23.50H2O for comparison. Dark gray circles show identical water positions in both CA10 structures. Yellow and red circles present different atom positions in CA10·23.50H2O at room temperature and in CA10·27.18H2O at 20 K, respectively. For clarity, the major and minor sites of water molecules are separately drawn in (b) and (c), respectively; C—H hydrogen atoms not shown. Unfilled, light and dark gray circles represent the CA10 C, O and water O atoms, respectively; O—H bonds are illustrated with black sticks. Small and large italic numbers indicate the water molecules and glucoside residues, respectively. Primed (′) atoms belong to the asymmetric unit related to the unprimed atoms of CA10 hydrate by the crystallographic twofold rotation axis (passing through W19 and normal to the paper plane). Drawn with the program MOLSCRIPT (Kraulis, 1991BB6).

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ISSN: 2052-5206
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