St Andrews Robotically Automated Crystallography

Lead Research Organisation: University of St Andrews
Department Name: Chemistry

Abstract

Crystallography is the most useful tool for determining the detailed arrangement of the atoms in a molecule. Unlike other techniques it has not yet been 'automated'. We wish to interface a robotic system with our recently installed high sensitivity diffractometer and develop the technology to produce an automated data collection and structure solution system. The project requires a robot to be installed and software linking together a number of currently available programs to be written. Some 'expert'software will also need to be written and integrated into the system. Once constructed the new automated facility will go on line and support the 70 academic staff/500 researchers in EaStChem.

Publications

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Ackermann K (2015) Assessing dimerisation degree and cooperativity in a biomimetic small-molecule model by pulsed EPR. in Chemical communications (Cambridge, England)

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Alvarez-PĂ©rez M (2008) A chemically-driven molecular information ratchet. in Journal of the American Chemical Society

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Coetzee J (2015) Iridium(I) PNP complexes in the sp³ C-H bond activation of methyl propanoate and related esters. in Dalton transactions (Cambridge, England : 2003)

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Douglas JJ (2015) Stereo- and Chemodivergent NHC-Promoted Functionalisation of Arylalkylketenes with Chloral. in Chemistry (Weinheim an der Bergstrasse, Germany)

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Henwood AF (2015) Unprecedented Strong Panchromic Absorption from Proton-Switchable Iridium(III) Azoimidazolate Complexes. in Chemistry (Weinheim an der Bergstrasse, Germany)

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Hunter L (2009) Synthesis and structure of stereoisomeric multivicinal hexafluoroalkanes. in Angewandte Chemie (International ed. in English)