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Details of Grant 

EPSRC Reference: GR/N06670/01
Title: COMBINED SOLID-STATE NMR & POWDER DIFFRACTION CRYSTAL STRUCTURE DETERMINATION
Principal Investigator: Roberts, Professor KJ
Other Investigators:
Hammond, Dr RB
Researcher Co-Investigators:
Project Partners:
Pfizer
Department: Chemical Engineering
Organisation: University of Leeds
Scheme: Standard Research (Pre-FEC)
Starts: 01 October 2000 Ends: 31 March 2003 Value (£): 170,610
EPSRC Research Topic Classifications:
Catalysis & Applied Catalysis Chemical Structure
EPSRC Industrial Sector Classifications:
Manufacturing Chemicals
Pharmaceuticals and Biotechnology No relevance to Underpinning Sectors
Related Grants:
GR/N05635/01
Panel History:  
Summary on Grant Application Form
Funding is requested to support a thirty month research programme to allow the development of a methodology that combines the experimental techniques of solid-state NMR and powder x-ray diffraction to solve the crystal structures of complex speciality fine chemicals from powdered samples. The research seeks to provide general protocols that exploit the individual techniques optimally for their use, in combination, to solve crystal structures, and to provide computational methods for data processing and crystal structure refinement. The research will focus on crystalline materials that have more than one moiety in their asymmetric units including, for example, solvates and molecular complexes. In such cases it is necessary to exploit a combination of experimental data from the two techniques to sufficiently constrain a problem to enable successful structure solution. Materials that manifest polymorphism will be studied in particular so as to begin to address the underlying structural causes. In addition the research will address the issue of the characterisation of solid to solid polymorphic transformations.EngProg\
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Organisation Website: http://www.leeds.ac.uk