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The X-ray diffraction studies of 9,25-dioxa-3,31-dithiaheptacyclo[31.4.0.25,8.211,14.115,19.2 20,23.226,29]hexatetraconta-1(33),5,7,11,13,15,17,20,22,26,28,34,36,38,40, 42 (19),43,45-octadecaene, C42H36O2S2.3H2O, shows a distorted cyclic conformation with a hydrophobic cavity of size 8.56 x 8.55 Å2 in the solid state. The compound exists as a trihydrate and the water molecules form a triangular cage caught inside the cavity. The molecules are held together by van der Waals interactions.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, I

CCDC reference: 126991

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