CCDC 2093033: Experimental Crystal Structure Determination

Experimental Crystal Structure Determination UBOMIL : methyl 3-phenyl-2-{1-[(phenylcarbamothioyl)amino]cyclohexyl}propanoate hemihydrate. Chemical formula C₂₃ H₂₈ N₂ O₂ S,0.5(H₂ O). Space Group: P 2₁/c (14). Cell: a 17.9253(10)Å b 9.7868(4)Å c 12.9086(6)Å, α 90° β 104.664(5)° γ 90°.

Keywords:
Crystal Structure, Experimental 3D Coordinates, Crystal System, Space Group, Cell Parameters, Crystallography
Subjects:
Chemical measurement

Cite this dataset as:
Askey, H., Grayson, J., Tibbetts, J., Turner-Dore, J., Holmes, J., Kociok-Kohn, G., Wrigley, G., Cresswell, A., 2021. CCDC 2093033: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. Available from: https://doi.org/10.5517/ccdc.csd.cc287z6q.

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Creators

Hannah Askey
University of Bath

James Grayson
University of Bath

Josh Tibbetts
University of Bath

Jacob Turner-Dore
University of Bath

Jake M. Holmes
University of Bath

Alex Cresswell
University of Bath

Contributors

University of Bath
Rights Holder

Documentation

Data collection method:

For details of the methodology, see the associated paper.

Methodology link:

Askey, H. E., Grayson, J. D., Tibbetts, J. D., Turner-Dore, J. C., Holmes, J. M., Kociok-Kohn, G., Wrigley, G. L., and Cresswell, A. J., 2021. Photocatalytic Hydroaminoalkylation of Styrenes with Unprotected Primary Alkylamines. Journal of the American Chemical Society, 143(39), 15936-15945. Available from: https://doi.org/10.1021/jacs.1c07401.

Funders

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

A Radical Approach to C-H Alkylation
EP/S028595/1

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

Nucleophilic alkaline earth boryls: from conception and theory to application
EP/R020752/1

UR Fellowship for Alex Cresswell - Better than Boron? Silicon-Mediated Aromatic Functionalisation
UF150533

PhD studentship

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

Industrial CASE Account – University of Bath 2020
EP/V519637/1

iCASE PhD studentship

Publication details

Publication date: 2021
by: Cambridge Crystallographic Data Centre

Version: 1

DOI: https://doi.org/10.5517/ccdc.csd.cc287z6q

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1298

Related papers and books

Askey, H. E., Grayson, J. D., Tibbetts, J. D., Turner-Dore, J. C., Holmes, J. M., Kociok-Kohn, G., Wrigley, G. L., and Cresswell, A. J., 2021. Photocatalytic Hydroaminoalkylation of Styrenes with Unprotected Primary Alkylamines. Journal of the American Chemical Society, 143(39), 15936-15945. Available from: https://doi.org/10.1021/jacs.1c07401.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Alex Cresswell

Departments:

Faculty of Science
Chemistry