Feb 152011
 
Chiral Selection in the Formation of Borates from Racemic Binaphthols and Related Diols (J. A. Raskatov, J. M. Brown and A. L. Thompson)

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

Feb 012011
 
Structure of the Month - February 2011

Presented by:  Dr. 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 … Read the rest

Jan 012011
 
Structure of the Month - January 2011

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

Dec 072010
 
Practical Applications of Averages and Differences of Friedel Opposites (H. D. Flack, M. Sadki, A. L. Thompson and D. J. Watkin)

Acta Cryst. (2011), A67, 21-34.    [ doi:10.1107/S010876731004287X ]

The practical use of the average and difference intensities of Friedel opposites at different stages of structure analysis has been investigated. It is shown how these values may be properly and practically used at the stage of space-group determination. At the stage of least-squares refinement, … Read the rest

Dec 012010
 
Structure of the Month - December 2010

Presented by:  Dr. Adrian B. Chaplin
Research Leader:  Prof. Andrew S. Weller
Published:  Journal of the American Chemical Society

Making and breaking C–C bonds in the solid state:  The structure of [Ir(BINOR‑S)(PiPr3)][BArF4] over the temperature range 100–250 K reveals a dynamic equilibrium between Ir(III) C–C agostic and Ir(V) bis-alkyl … Read the rest

Nov 272010
 

J. Appl. Cryst. (2011), 44, 52-59.    [ doi:10.1107/S0021889810042470 ]

One of the requirements for the next generation of small-molecule crystallographers is a mathematical programming infrastructure. It should provide a modelling design process, where the model formulation is kept separate from the optimization process to provide gains in reliability, scalability and extensibility, enabling the application … Read the rest

Nov 172010
 
BCA/PCG Poster Prize

Jeremy Law, a Part II student working with Dr Nick Rees and Dr David Watkin, has won a prize for his poster entitled “Alternative Approaches to Hydrogen Atom Location in the Solid State”. He presented his work to the joint ISIS Crystallography User Group and British Crystallographic Association PCG/SCMP meeting “Current Research in Physical Crystallography”… Read the rest

Nov 162010
 

Congratulations to Dr David Watkin who received an award under the Oxford Teaching Awards scheme for excellence in teaching as attested by student feedback and with the support of the department. He received a certificate presented by Professor Andrew Hamilton, the Vice-Chancellor of Oxford at Rhodes House.
The Oxford Teaching Awards scheme, co-ordinated by the … Read the rest

Nov 012010
 
Structure of the Month - November 2010

Presented by:  Nicola K. S. Davis & Dr. Amber L. Thompson
Research Leader:  Prof. Harry L. Anderson
Published:  Journal of the American Chemical Society

Molecules with large planar π-systems show a strong tendancy to aggregate due to π-π interactions. This tetra-anthracene-fused porphyrin forms dimers with the molecules twisted with respect to each other. Bulky aryl … Read the rest

Sep 012010
 
Structure of the Month - September 2010

Presented by:  Dr. Nathan L. Kilah, Matthew D. Wise, Christopher J. Serpell, Nicholas G. White, Dr. Kirsten E. Christensen & Dr. Amber L. Thompson
Research Leader:  Prof.
Paul D. Beer
Published:  Journal of the American Chemical Society

This structure represents the first use of solution phase halogen bonding to control and facilitate the anion templated … Read the rest