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Crystal structure of tris(binol)cyclotriphosphazene. A new clathration system

Abstract : The crystal structure of inclusion compound constituted by chiral tris(binol)cyclotriphosphazene ((S,S,S)-TBP) host and o-xylene guest has been determined. It has an orthorhombic unit cell with space group P212121 (no. 19) and unit cell dimensions a = 10.9265(4) Å, b = 17.8959(8) Å, and c = 30.3964(1) Å. Guest free (S,S,S)-TBP is an amorphous material according to the literature (Chem. Eur. J. 2001, 7, 1486–1494) and crystal structure has not been reported so far. Formation of inclusion adduct with o-xylene guests acting as a molecular glue allowed to determine the structural features. (S,S,S)-TBP has a propeller-like shape with binol units considered as paddles. Naphthalene units are twisted at 51° in those paddles. Effects of this twist on spirocyclic seven-membered ring and on cyclotriphosphazene ring are discussed. © 2016 Elsevier Ltd
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01367225
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Submitted on : Thursday, September 15, 2016 - 5:17:28 PM
Last modification on : Friday, July 10, 2020 - 4:05:46 PM

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M. Reynes, D. Virieux, O. Jeannin, M. Fourmigué, J. Moreau, et al.. Crystal structure of tris(binol)cyclotriphosphazene. A new clathration system. Tetrahedron Letters, Elsevier, 2016, 57 (36), pp.4086--4089. ⟨10.1016/j.tetlet.2016.07.090⟩. ⟨hal-01367225⟩

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