The triennial Congress of the International Union of Crystallography was held in Madrid, Spain at the end of August 2011. Chem. Cryst. was well represented with several talks and posters including:
Richard I. Cooper
Optimising X-ray Experiment Strategy on-the-fly based on Feedback from Automated Structure Solution (Presentation)
Amber L. Thompson
Battle of the Titans: Atlas … Read the rest
The 2011 Diamond Annual Review, which highlights some of the world-class research recently undertaken at Diamond Light Source is now available from their website. The report includes a contribution from Prof. Paul Beer covering some of the fascinating interlocked structures determined from data collected using the Small Molecule Beamline, I19, as part of the … Read the rest
Presented by: Matthew J. Langton, Jonathan D. Matichak & Amber L. Thompson
Research Leader: Prof. Harry L. Anderson
Published: Chemical Science (cover article)
Fully π-conjugated porphyrin oligomers exhibit remarkable properties such as ultrafast energy migration, strong two-photon absorption and wire-like charge transport. The possibility to encapsulate them by rotaxane formation may provide valuable control over … Read the rest
CRYSTALS v14.23c installer is available to download for the Windows platfom.
[Update - patched version 1423c released 27 May, fixes format problem with tiny weights in FCF, CIF input bug]
Selected highlights:
Presented by: Matthew Tatton & Paul Winship
Research Leader: Prof. Timothy J. Donohoe
Published: Angewandte Chemie International Edition
This is the final isolated intermediate in the synthesis of Neodysiherbaine A; crystals were very small, so data were collected on I19 at Diamond. The natural product is an excitatory amino acid isolated from the Dysidea herbacea … Read the rest
The BCA Spring Meeting was held at the University of Keele in Staffordshire. Contributions from Chem. Cryst. included:
Richard I. Cooper, Amber L. Thompson & David J. Watkin
Standard Uncertainties and Experimental Design (Poster)
Amber L. Thompson & David J. Watkin
“Unpublishable” Data: Does My R-factor Look Big in This? (Poster)
David Watkin
What’s … Read the rest
Not content with showing off the eye-catching brilliance of her new diamond engagement ring, final year Inorganic Chemistry student Rowena Scott wanted to reveal the beautiful symmetry of its atomic structure. She recorded an X-ray diffraction pattern from the diamond using one of the Chemistry Department’s new state of the art, SuperNova dual source X‑ray … Read the rest
CrystEngComm (2011), 13(8) 2923-2929. [ doi:10.1039/c0ce00709a ]
A series of racemic or stereochemically labile chiral borate anions based on the 2,20-biphenol motif was
investigated. All borates were homochiral in the solid state, although in some cases the heterochiral
diastereomers were computed to be thermodynamically preferred (DFT). The crystallographic
preference for the homochiral diastereomer was … Read the rest
Presented by: Andrew D. Schwarz & Liban M. A. Saleh
Research Leader: Prof. Philip Mountford & Prof. Simon Aldridge
Published: Journal of the American Chemical Society
Transition-metal boryl compounds (L)M(BX2)x, containing 2‑center, 2‑electron σ‑bonds have been a topic of outstanding interest due to pivotal roles in … Read the rest
Presented by: Nicholas H. Evans & Christopher J. Serpell
Research Leader: Prof. Paul D. Beer
Published: Angewandte Chemie International Edition
Catenanes and rotaxanes are highly attractive targets for the supramolecular chemist due to their potential uses as molecular machines or as selective hosts for ionic and molecular guests. This molecule was synthesised via chloride anion … Read the rest
