Analysis of crystal structures

W. H. Bragg (University College, London) and W. L. Bragg (Manchester) analysis of crystal structure by means of X-rays. 

In addition to the occurrence in PE at high temperature and pressure, the hexagonal phase is frequently found in paraffin substances under various circumstances. The analysis of crystal structure and order of these hexagonal phases is not only interesting, but also important for the understanding of their origins. The circumstances in which hexagonal phases arise in paraffin substances can be summarized as follows ... 

Prabu-Jeyabalan M, Nalivaika E, Schiffer CA (2002) Substrate shape determines specificity of recognition for HIV-1 protease analysis of crystal structures of six substrate complexes. Structure 10 369-381... 

Applications discussed in this section are those that have traditionally been considered fields of crystallography, namely the determination and analysis of crystal structures. 

The complex of imatinib and other small-molecule ABLl inhibitors as determined by analysis of crystal structures will continue to assist in the development and optimization of inhibitors that are active against mutations conferring resistance in CML (120). The rapidity with which these developments have been occurring is truly astounding and underlies the continued optimism that the treatment of CML and disorders related to it and other disorders where the molecular mechanisms of disease are being unraveled, will become more and more treatable in the future. There is little doubt that combination therapy of CML and related disorders will be a reality in the not-distant future (121). 

William H. and William L. Bragg Physics Analysis of crystal structure by X-rays... 

BRAGG SPECTROMETER. An instrument for the x-ray analysis of crystal structure, in which a homogeneous beam of x-rays is directed on the known face of a crystal, C. and the reflected beam detected in a suitably placed ionization chamber, E. As the crystal is rotated, the angles at which... 

A detailed analysis of crystal structures in compounds with formula Pt(amine)2 (purine)2 has made clear that H-bond interaction between the amine N-H and the 06 of the purine do occur frequently140,141. ... 

Recently we have reported the analysis of crystal structures of single crystals of DyMnOj [3] and LnMnOj (Ln = Nd, Sm, Eu and Gd) [4] using a four cycle X-ray diffractometer. In this study the growth of single crystals of PrMnOj and TbMnOj and the refined crystal structures are described. Since praseodymium and terbium have several valence states, some considerations about the atmospheric conditions are necessary. 

Baur, W. H., E. Tillmanns, and W. Hofmeister (1983). Topological analysis of crystal structures. Acta. Cryst. B44, 669-73. 

Lipson. H., and Beevers, C. A. An improved numerical method of two-dimensional Fourier synthesis for crystals. Proc. Phys. Soc. 48, 772-780 (1936). Patterson, A. L., and Tunell, G. A method for the summation of the Fourier series used in the X-ray analysis of crystal structures. Amer. Mineralogist 27. 655-679 (1942). 

Values of cone angles have been revised on the basis of analysis of crystal structure information in the Cambridge Structural Database. For a review of these results and other... 

A recent analysis of crystal structure has attempted to add structural data to aid in understanding the mechanism (97). As mentioned above, the reaction involves dehydration of 2-phospho-o-glycerate to phosphoenolpyruvate, and the... 

Improvements in the accuracy of simulations of structure will also undoubtedly stem from the continued evolution of efficient collection, database construction, and analysis of crystal structural information. The Cambridge Crystallographic Database (Allen et al., 1991), for example, presently contains more than 100 000 crystal structures. There is a wealth of information contained within such a compendium and a steady stream of publications appear based on such analyses. 

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