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Lookup NU author(s): Dr Paul Waddell
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
© The Author(s) 2024.vMeasurement of the unit cell of (R)-BINOL over a 200° temperature range (300–100 K) reveals an anisotropic contraction where the c-axis contracts ca. 2.3% compared to a ca. 0.45% contraction of the a and b axes, a ca. six-fold difference in linear thermal expansion coefficient. This contraction corresponds to a decrease in the helical pitch of the 31 screw axis in the [001] direction. The anisotropic nature of the contraction is rationalised by a thorough analysis of intermolecular contacts within the crystal and their impact on the conformation of the molecule and crystal packing. Graphical Abstract: The crystal structure of (R)-BINOL exhibits a pronounced anisotropic thermal expansion. (Figure presented.).
Author(s): Waddell PG
Publication type: Article
Publication status: Published
Journal: Journal of Chemical Crystallography
Year: 2024
Pages: ePub ahead of Print
Online publication date: 08/04/2024
Acceptance date: 14/03/2024
Date deposited: 17/04/2024
ISSN (print): 1074-1542
ISSN (electronic): 1572-8854
Publisher: Springer Nature
URL: https://doi.org/10.1007/s10870-024-01013-6
DOI: 10.1007/s10870-024-01013-6
Data Access Statement: CCDC 2333325–2,333,329 contain the full crystallographic data for this article. These are available free of charge at www.ccdc.cam.ac.uk/data_request/cif, by emailing data_request@ccdc.cam.ac.uk or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK, fax: + 44 1223 336033.
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