Research Data Leeds Repository

Citation

Hardie, Michaele, Thorp-Greenwood, Flora, Brennan, Alexander, Oldknow, Samuel, Henkelis, James J., Simmons, Katie and Fishwick, Colin (2016) Data to support study of synthesis of pseudorotaxanes from pillar[5]arene and cyclotriguaiacyclene-type axles. University of Leeds. [Dataset] https://doi.org/10.5518/123

Dataset description

[4]pseudorotaxanes composed of three-way axle threads based on the cyclotriguaiacylene family of crown-shaped cavitands and three threaded macrocyclic dimethoxypillar[5]arene units are supported by NMR, mass spectrometry, modelling and crystal structures of axles.

Keywords:	cyclotriguaiacyclene, pseudorotaxane, pillararene
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1080/10610278.2016.1265120 Publication https://eprints.whiterose.ac.uk/108402/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	23 Nov 2016 11:29
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/95
Additional details Additional details Creators or authors: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Hardie, Michaele https://orcid.org/0000-0001-6586-7981 University of Leeds https://ror.org/024mrxd33 ror Thorp-Greenwood, Flora https://orcid.org/0000-0001-6228-2056 University of Leeds https://ror.org/024mrxd33 ror Brennan, Alexander https://orcid.org/0000-0003-4196-081X University of Leeds https://ror.org/024mrxd33 ror Oldknow, Samuel https://orcid.org/0000-0002-7506-0062 University of Leeds https://ror.org/024mrxd33 ror Henkelis, James J. https://orcid.org/0000-0002-9419-8091 University of Leeds https://ror.org/024mrxd33 ror Simmons, Katie https://orcid.org/0000-0003-4846-9097 University of Leeds https://ror.org/024mrxd33 ror Fishwick, Colin https://orcid.org/0000-0003-1283-2181 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC, Leverhulme Trust Grant numbers: EP/K039202/1, RPG-2014-148 Publication date: 2016 Resource language: English Metadata language: English Research project title: Dynamic assemblies Publisher: University of Leeds Contact email: m.j.hardie@leeds.ac.uk Last Modified: 21 Aug 2024 13:48

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Documentation

Compound naming and metadata [29kB] Compound naming and metadata [29kB] Compound naming and metadata [29kB] Security: Anyone File name: readme.pdf Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 29kB

Data

NMR spectra [314MB] NMR spectra [314MB] NMR spectra [314MB] Security: Anyone File name: NMR.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 314MB

Single crystal XRD [2MB] Single crystal XRD [2MB] Single crystal XRD [2MB] Security: Anyone File name: crystal.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2MB

Modeling [47kB] Modeling [47kB] Modeling [47kB] Security: Anyone File name: model.pdb Content type: Data Mime-Type: application/vnd.palm License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 47kB

MS,IR,CHN [2MB] MS,IR,CHN [2MB] MS,IR,CHN [2MB] Security: Anyone File name: analysis.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2MB