SPEK program

In a new version of SECS, a transform library of 1291 basic reactions was extracted from a database of 14994 reactions. Indeed, in databases, numerous reactions are stored several times under different structural environments. For example, reduction of a ketone to an alcohol was present 78 times in the precedent one. The SPEK program uses transforms library from a database of 300(X) reactions. Blurock developed a system to extract, calculate, and organize chemical information from chemical databases. ... 

A. L. Spek, PLATON, Molecular Geometry Program, University of Utrecht, The Netherlands, 1995. 

A.L. Spek, LEPAGE - an MS-DOS program for the determination of the metrical symmetry of a translation lattice, J. Appl. Cryst. 21, 578 (1988). 

Platon Single crystal structure validation with the program PLATON, A. L. Spek, J. Appl. Crystallogr., 2003, 36, 7 13 Includes Structure Tidy ... 

D. Cunningham, R. Dark and M. Mahon, CrystEngComm, 2004, 6, 303 Single crystal structure validation with the program PLATON, A. L. Spek, J. Appl. Crystallogr., 2003, 36, 7 13 and A. L. Spek, 1998, PLATON, A Multipurpose Crystallographic Tool, Utrecht University, Utrecht, The Netherlands... 

Validation tests can also be run locally with the implementation of the programs lUCRVAL (Farmgia, 2000) and PLATON (Spek, 2006). This is particularly useful when direct access to the internet is a problem or not allowed in view of confidential research. 

Organic polar solvents, such as 7V-methyl-2-pyrrolidinon (NMP), N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO), were used to form SPEK polymer solutions. The concentration of polymer was set to 20 wt.% in the casting solution. At room temperature, this viscous solution was cast on a glass plate with a casting knife. The membrane was dried in a convection oven the hot air was streaming tangential from the side. The temperature of the oven was programmed to remain at 40°C for 4 h, subsequently increased to 60°C and maintained at this... 

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