MULTAN program

MULTAN programs 111). The structure and unit cell packing of each are shown in Fig. 1. Circular dichroism spectra of 10 Cephalotaxus alkaloids have been reported 112). Cephalotaxine was studied by two-dimensional nuclear Overhauser effect correlated spectroscopy (NOESY) 113). 

The structure was solved by the direct method using the MULTAN program (ref. 44). An E-map, calculated by using 310 reflections (I El 1.39) with the phase set of the highest combined figure of merit (2.788), revealed the locations of all... 

The three dimensional structure was obtained by means of single crystal X-ray diffraction. CuKa radiation, a graphite monochromator, and a photomultiplier tube were used to collect 1825 total reflections on an automated diffractometer. Of these, 1162 were used for the analysis. Figure 2 shows a computer generated drawing of halcinonide. The position of the chlorine atom was not clear from the Patterson map, but the direct method program "MULTAN" gave its position. 

Main, P. Hull, S.E. Lesslnger, L. Germain, G. Declercg, J.P. Woolfson, M.M. "MULTAN 78. A System of Compuer Programs for the Automatic Solution of Crystal Structures from X-ray Diffraction Data" Universities of York (England) and Louvain (Belgium), 1978. 

The best approach to date to automatic structure solution is the direct method (DM), introduced by Hauptmann,154 Jerome Karle,155 and Isabella Karle,156 and made possible by efficient computer programs, such as MULTAN (Main,15 Germain,158 and Woolfson59) and SHELX... 

In addition to local programs, the following were used on the CICT CII-HB DPS 8 Multics System Main and co-workers Multan Busing, Martin and Levy s Orffe Johnson s Ortep. 

NRCVax NRCVAX an interactive program system for structure analysis, E. J. Gabe, Y. Le Page, J. P. Charland, F. L. Lee and P. S. White, J. Appl. Crystallogr., 1989, 22, 384 387 NRCVAX Solver (Multan like) NRCVax... 

The software used was MULTAN 77 flJO]. There arc a number of more up-to-date program systems ... 

Data collection on an Enraf Nonius CAD-4 diffractometer (7796 measured reflections, T = 298 K, 1851 observed reflections, with > 3.0cr(/net))- Program used to solve the structure MULTAN 80 [7]. Program to refine the structure by full matrix least squares SHELX [8]. Molecular graphics ORTEPII [9], GenMol [10]. 

P. Main, S. J. Fiske, S. E. Hull, L. Lessinger, G. Germain, J. P. Declercq, and M. M. Woolfson MULTAN 80. A System of Computer Programs for Automatic Solution of Crystal structures from X-Ray Diffraction Data, University of York, England, and Louvain, Belgium (1980). 

A number of very successful computer programs have heen developed which make use of such techniques to solve crystal stractures. Many of these are highly automated, so much so that one need not necessarily he fuUy aware of the underlying theory to use them. Such programs are SHELX-76 and SHELXS-84 hy G. M. Sheldrick and MULTAN, YZARC, and MAGIC by M. M. Woolfson. ... 

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