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Malińska, Maura, 2026, "Supporting crystallographic CIF files for: DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures", https://doi.org/10.58132/RE83KS, Dane Badawcze UW, V1
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This repository contains seven CIF files for the TBC6 solvate structures described in the associated paper “DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures”.
The structures were measured by single-crystal X-ray diffraction at 100 K and include one winged-cone form and six structures based on the 1,2,3-alternate conformation. These data document the structural diversity of DMSO-containing TBC6 solvates and may be opened in Mercury (CSD) or used in SHELXL-based crystallographic workflows.
tert-butylcalix[6]arene, TBC6, calixarene, solvates, crystal structures, single-crystal X-ray diffraction, host–guest systems, supramolecular chemistry, DMSO, multicomponent crystals
Wanat, M.; Zaorska, E.; Malinska, M. DMSO Solvates of Tert-Butylcalix[6]Arene and Related Multisolvent Structures. Acta Cryst B 2025, 81 (6), 517–527. https://doi.org/10.1107/S2052520625008625 https://doi.org/10.1107/S2052520625008625 doi: 10.1107/S2052520625008625
CC BY - Creative Commons Attribution 4.0
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