Katie is investigating crystallisation properties of different classes of materials. The results will be compared with crystallisability predictions carried out as part of Jerome Wicker‘s Part II and DPhil research, and previous measurement of molecular crystallisation properties.
Katie undertook rapid prototyping of her crystallisation apparatus using Lego, LEDs, plenty of solder and a Raspberry Pi computer. After work she enjoys her role as Safety Officer of the University pistol club.
Jo is investigating crystalline materials which undergo light-induced changes in the solid-state. We will make use of these materials as model systems for in situ tracking by diffraction of conformational changes and reactions which can be triggered by external stimuli.
The 2016 British Crystallographic Meeting Spring Meeting took place at the University of Nottingham from 4th – 7th April. Contributions from Chem. Cryst. staff and students were:
Jerome G. P. Wicker, Bill I. F. David & Richard I. Cooper
When will it Crystallise? (Talk in session: From Amorphous to Crystal)
Jo Baker & Richard I. Cooper
Making and Measuring Photoswitchable Materials (Talk in session: Young Crystallographers’ Satellite)
Pascal Parois, Karim J. Sutton & Richard I. Cooper
On the application of leverage analysis to parameter precision using area detector strategies (Poster)
Oliver Robshaw & Richard I. Cooper
The role of molecular similarity in crystal structure packing (Poster)
Katie McInally & Richard I. Cooper
Linking crystallization prediction, theory and experiment using solubility curve determination (Poster)
Richard I. Cooper, Pascal Parois & David J. Watkin
Non-routine single crystal structure analyses using CRYSTALS (Poster)
Alex Mercer & Richard I. Cooper
Fitting Disordered Crystal Structures by Simulated Annealing of an Ensemble Model (Poster)
The 30th biennial conference of the Society of Crystallographers of Australia and New Zealand (Crystal30) was held in Hobart, Tasmania in March 2016.
Richard Cooper gave a keynote entitled “Routine problems and non-routine solutions in single crystal structure analyses” in which he discussed the use of the CRYSTALS software (and other tools) to address commonly occurring problems in crystallographic analysis.
Acta. Cryst. (2016) C72, 261-267 [ doi:10.1107/S2053229616003570 ]
A study of post-refinement absolute structure determination using previously published data was carried out using the CRYSTALS software package. We show that absolute structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute structure determination and no interÂest in absolute structure as proposed by Flack [Chimia (2014), 68, 26–30].
Publisher’s copy
Richard Cooper will give a departmental seminar “Crystallisation of molecular materials: prediction, measurement, analysis” at UCLAN School of Forensic and Applied Science on Wednesday 24 February.
The 3rd Edition of the School of Crystallisation and Crystallography for Latin America organised by Prof. Carlos Campos was held in December in Florianópolis, Brazil. The quiet setting in a monastery south of the main centre of Florianópolis provided ideal conditions for an intensive week of crystallography lectures, posters and discussions. Richard Cooper attended to lecture on crystallographic modelling and structure solution methods.
Welcome to our new cohort of Part II students for 2015/16
Jo Baker, Katie McInally, Alex Mercer and Oliver Robshaw.
Chemistry Central Journal 2015, 9:30 [Â doi:10.1186/s13065-015-0105-4 ]
The size and complexity of molecules being studied by single crystal diffraction is growing year by year, resulting in an increase in the difficulties encountered during structure determination. From the crystallisation itself and sample handling, to structure solution and refinement, specific problems due to larger molecules are discussed.
During refinement, several methods are available to deal with the problems encountered with large structures within the software CRYSTALS. Recent developments in precision and speed during the least squares in CRYSTALS is helping the structural scientist to deal with larger structures more efficiently.
Publisher’s copy (Open Access)
Congratulations to Sophie Gearing who won an RSC CrystEngComm poster prize at the British Crystallographic Association Meeting in York for her poster “Does it Crystallise?” which presented studies of the crystallinity in a set of molecular materials.
Her research tests predictions made in recent research by Jerome Wicker by using combinatorial synthesis to access a range of chemically similar materials with different crystallisability, and assessing crystallinity using a variety of analytical techniques.