Data crystallographic

Empirical formula Formula weight Temperature Wavelength Crystal system Space group Unit cell dimensions 

Theta range for data collection Index ranges 

Reflections collected Independent reflections Completeness to theta = 67.04° Absorption correction Max. and min. transmission Refinement method Data/restraints/parameters Goodness-of-fit on F  

Hansen, T.V., Stenstr0m, Y. Organic Synthesis Theory and Applications, vol. 5, pp. 1-38. Elsevier, Amsterdam (1996) 

Results obtained in collaboration with Masaki Sekine (visiting PhD student from the group of Prof. Eiichi Nakamura, Tokyo University, Japan) 

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The first analytical tool to assess tire quality of a zeolite is powder x-ray diffraction. A collection of simulated powder XRD patterns of zeolites and some disordered intergrowths togetlier witli crystallographic data is available from tlie IZA [4o]. Phase purity and x-ray crystallinity, which is arbitrarily defined as tlie ratio of tlie intensity of... 

A Program for CIF Generation, Cambridge Crystallographic Data Centre, Cambridge, UK, 1992. 

CSD Cambridge Crystallographic Data Centre organic, me-talorganic crystal structures numeric 257000 experi- ments Cambridge Crystallographic Data Centre commercial CD-ROM periodi- cally www.ccdc.ca- rn.ac.uk... 

The structure proposed by Watson and Crick was modeled to fit crystallographic data obtained on a sample of the most common form of DNA called B DNA Other forms include A DNA which is similar to but more compact than B DNA and Z DNA which IS a left handed double helix... 

Page 670 (Figure 16 3) is adapted from crystallographic coordinates deposited with The Cambndge Crystallographic Data Cen tre CCDC ID NAMNSB Duax W L Smith G D Strong P D Journal of the American Chemical Society 1980 102 6725... 

Although many sterols and bile acids were isolated in the nineteenth century, it was not until the twentieth century that the stmcture of the steroid nucleus was first elucidated (5). X-ray crystallographic data first suggested that the steroid nucleus was a thin, lath-shaped stmcture (6). This perhydro-l,2-cyclopentenophenanthrene ring system was eventually confirmed by the identification of the Diels hydrocarbon [549-88-2] (4) and by the total synthesis of equilenin [517-09-9] (5) (7). 

Cyclosporin A forms white prismatic crystals from acetone and is only slightly soluble in water and saturated hydrocarbons, but is very soluble in methanol, ethanol, acetone, and diethyl ether. Optical and nmr data on cyclosporins and x-ray crystallographic data on cyclosporin A and an io do derivative have been reviewed (273,275). 

Fig. 3. Computer projections of P-cyclodextfin inclusion complexes of (a) (R)-propranolol and (b) (3)-piopianolol from x-ray crystallographic data. Dotted lines represent potential hydrogen bonds (see text). The configurations shown represent the optimal orientation of each isomer on the basis of the highest...

The second problem concerns isomers of these various systems. As illustrated, 2d might be presumed to be planar. Unlike nitrogen, the inversion at phosphorus is very slow and there are, in fact, five possible isomers of it (three meso and two dl pairs). The interconversion of these isomers is reported in a subsequent paper by Davis, Hudson and Kyba along with x-ray crystallographic data on the structure of the so-called isomer B . 

In the absence of X-ray crystallographic data vibrational spectroscopy can. sometimes provide information concerning the mode of ligation, the position of the two n(SO) stretching modes in particular often providing a useful but not always reliable diagnostic " ... 

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