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529-0029-00L 7 Credits
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Structure Determination

Lecturers & Examiners: Dr. Volker Gramlich, Dr. Anthony Linden
VVZ CR n/a

Last Updated: 2026-02-05 14:59:39

Abstract

Advanced X-ray crystal structure analysis

Objective

To gain a deeper understanding of crystal structure determination by X-ray diffraction and the evaluation of results.

Content

Review of principles of diffraction and instrumentation, unit cells, lattices, and symmetry. Working safely with X-rays, crystal growth, selection and mounting, data collection strategies, data reduction, corrections for absorption, extinction and Lp, advanced structure solution theory and techniques: Patterson function, heavy atom technique, Fourier methods, direct methods. Structure modelling and refinement, disorder, twinning, false symmetry, interpretation of anisotropic shift parameters, high resolution crystal structure analysis. Main features of methods in protein crystallography, determination of the absolute configuration, interpretation of results and scope of chemically useful information, validation and publication of results, critical evaluation of published crystal structures.

Resources

Lecture Notes

Information and exercise sheets will be distributed in loose form.

Literature

(1) J.D. Dunitz, "X-ray Analysis and the Structure of Organic Molecules", 1995, Verlag HCA. (2) G. H. Stout, L. H. Jensen: X-Ray Structure Determination, J. Wiley & Sons, 1989. (3) M. M. Woolfson: X-Ray Crystallography, Cambridge University Press, 1970. (4) W. Massa "Crystal Structure Determination", 1999, Springer Verlag. (5) J.P. Glusker & K.N. Trueblood, "Crystal Structure Analysis - A Primer", 2nd Ed., 1985, Oxford University Press. (6) W. Clegg, A.J. Blake, R.O. Gould & P. Main, "Crystal Structure Analysis - Principles and Practice", edited by W. Clegg, 2001, International Union of Crystallography Texts on Crystallography 6, Oxford University Press. (7) C. Hammond, "The Basics of Crystallography and Diffraction", 2nd Ed., 2001, International Union of Crystallography Texts on Crystallography 5, Oxford University Press. (8) J.P. Glusker, M. Lewis & M. Rossi, "Crystal Structure Analysis for Chemists and Biologists", 1994, VCH Publishers. (9) D. Blow, "Outline of Crystallography for Biologists", 2002 Oxford University Press. (10) D. Schwarzenbach, "Kristallographie", 2001, Springer Verlag.

General Information

Language
German
Frequency
Yearly recurring

Examination

Type
session examination
Mode
oral 30 minutes

Course Components

Type Title Time & Place Hours
lecture with exercise Structure Determination
oder n.V.gemeinsam mit der Universität Zürich
  • Mon 10:15-12:00 (Y32 E 6)
  • Tue 13:00-13:45 (Y32 E 6)
3 h weekly

Offered In