Louis J. Farrugia

Bio: Louis J. Farrugia is an academic researcher from University of Glasgow. The author has contributed to research in topics: Crystal structure & Charge density. The author has an hindex of 34, co-authored 243 publications receiving 49150 citations. Previous affiliations of Louis J. Farrugia include University of British Columbia & University of Jyväskylä.

(R)- and (S)-2-diphenylphosphinoyl-2′-hydroxy-1,1′-binaphthalene: versatile chiral bidentate ligands

Abstract: The homochiral compounds (R)- and (S)-2-diphenylphosphinoyl-2′-hydroxy-1,1′-binaphthalene, (R)- and (S)-Hbinappo, react with TiCl4 or ZrCl4 to produce complexes of bidentate binappo–, [MCl2(binappo)2](M = TiIV or ZrIV). VCl3, FeCl3 and MoO2Cl2 also react with Hbinappo, but require the presence of a base to produce [M(binappo)3](M = VIII or FeIII) or [MoO2(binappo)2]. The complex [MoO2(acac)2](acac = acetylacetonate) reacts with Hbinappo to produce [MoO2(acac)(binappo)]. The vanadium(III) tris(chelate) complexes are readily oxidised in air to [VO(binappo)2]. All of these complexes have been characterised by microanalytical, infrared, and, where appropriate, NMR, electronic and CD spectroscopic techniques. (S)-Hbinappo, [ZrCl2{(S)-binappo}2], [V{(S)-binappo}3] and [VO{(S)-binappo}2] have also been characterised by single-crystal X-ray techniques. In all of the complexes the ligands are co-ordinated through their phenolate and phosphinoyl oxygen atoms forming eight-membered chelate rings. The tris-chelate complexes form stereospecifically, (S)-binappo giving the Λ isomer exclusively, and the (R)-form producing Δ-[M(binappo)3]. Although each of the [M(binappo)3] species are necessarily sterically crowded, little M–O bond elongation is observed in the single-crystal X-ray structure of [V{(S)binappo}3]. Initial attempts at achieving asymmetric induction in TiIV-and VOIV-based oxidations of prochiral sulfides in the presence of these ligands are also presented, but observed enantiomeric excesses are generally < 10%.

Synthesis of Four Diastereomers of Sclerophytin F and Structural Reassignment of Several Sclerophytin Natural Products

Abstract: Synthesis of the triol that has been proposed to be the marine natural product sclerophytin F has been completed along with the syntheses of three diastereomers. Comparison of the NMR spectroscopic data for all four compounds to the data reported for the natural product reveals that sclerophytin F is not the 3S diastereomer of sclerophytin A as proposed by Friedrich and Paquette. Re-analysis of the NMR spectroscopic data for known sclerophytin natural products and synthetic analogues leads to the conclusion that sclerophytins E and F are the same compound. This finding has allowed structural reassignment of several other cladiellin natural products.

WinGX suite for small-molecule single-crystal crystallography

Abstract: The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and signi®cant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. Cryst. (1985). 18, 189± 190] and on the World Wide Web at http://www.iucr. org/journals/jac/software/. Lists of software presented and/or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.

Phd by thesis

Abstract: Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

WinGX and ORTEP for Windows: an update

Abstract: The WinGX suite provides a complete set of programs for the treatment of small-molecule single-crystal diffraction data, from data reduction and processing, structure solution, model refinement and visualization, and metric analysis of molecular geometry and crystal packing, to final report preparation in the form of a CIF. It includes several well known pieces of software and provides a repository for programs when the original authors no longer wish to, or are unable to, maintain them. It also provides menu items to execute external software, such as the SIR and SHELX suites of programs. The program ORTEP for Windows provides a graphical user interface (GUI) for the classic ORTEP program, which is the original software for the illustration of anisotropic displacement ellipsoids. The GUI code provides input capabilities for a wide variety of file formats, and extra functionality such as geometry calculations and ray-traced outputs. The programs WinGX and ORTEP for Windows have been distributed over the internet for about 15 years, and this article describes some of the more modern features of the programs.