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°.
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
Gabriele Kociok-Kohn
University of Bath
Gail L. Wrigley
AstraZeneca
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 (EPSRC)
https://doi.org/10.13039/501100000266
A Radical Approach to C-H Alkylation
EP/S028595/1
Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266
Nucleophilic alkaline earth boryls: from conception and theory to application
EP/R020752/1
Royal Society
https://doi.org/10.13039/501100000288
UR Fellowship for Alex Cresswell - Better than Boron? Silicon-Mediated Aromatic Functionalisation
UF150533
University of Bath
https://doi.org/10.13039/501100000835
PhD studentship
Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266
iCASE PhD studentship
Syngenta International (Syngenta)
https://doi.org/10.13039/501100010761
iCASE PhD studentship
AstraZeneca
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
Faculty of Science
Chemistry
