The 2012 Meeting of the British Crystallographic Association was held at Warwick University. Oxford was very well represented this year with Kirsten Christensen chairing the Programme Committee and prizes being awarded to Joe Paddison, Nick Funnell and Emma McKinley.
Other contributions from Oxford include:
Karim J. Sutton, Kirsten E. Christensen, Amber L. Thompson & Richard … Read the rest
Acta Cryst. (2012), C68, o152-o155. [ doi:10.1107/S0108270112009377 ]
Tetraisohexylammonium bromide [systematic name: tetrakis(4-methylpentyl)azanium bromide], C24H52N+·Br-, is a powerful structure II clathrate hydrate crystal-growth inhibitor. The crystal structure, in the space group P3221, contains one ammonium cation and one bromide anion in the asymmetric unit, … Read the rest
Dalton Trans. (2012), 41, 1951-1960. [ doi:10.1039/C1DT11758K ]
Uranium complexes of bis(p-tert-butyl-salicylidene)-1,2-diphenylethylenediamine (1) and bis(salicylidene)-1,2-diphenylethylenediamine (2) have been synthesized and investigated by X-ray single crystal diffraction and MD calculations in Periodic Boundary Conditions. Both compounds form crystals which are densely packed and do not provide voids accessible to … Read the rest
Acta Cryst. (2012), E68, o593-o594. [ doi:10.1107/S1600536812003303 ]
The title compound, C7H13NO3, adopts an approximately planar conformation. The torsion angles in the aliphatic chain between the carbonyl group C atoms range from 172.97 (14) to 179.38 (14)° and the r.m.s. deviation of all non-H atoms is 0.059 Å. … Read the rest
[Update: Thank-you to all the speakers and attendees who made this a great event; details are available on the main Red Kite web page. See you all again next year!]
The inaugural meeting of the Red Kite Crystallographers will be held on Thursday 12th January, 2012 in the Inorganic Chemistry Laboratory, Oxford.
Attendance will … Read the rest
J. Appl. Cryst. (2011), 44, 1017-1022. [ doi:10.1107/S0021889811034066 ]
A summary of the features for investigating absolute structure available in the crystallographic refinement program CRYSTALS is presented, together with the results of analyses of 150 light-atom structures collected with molybdenum radiation carried out with these tools. The results confirm that the Flack and Hooft … Read the rest
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 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
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
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
