Chapter 3. Methods of Crystal Structure Analysis

  1. Prof. Dr. Jack D. Dunitz

Published Online: 26 APR 2007

DOI: 10.1002/9783906390390.ch3

X-Ray Analysis and the Structure of Organic Molecules, Second Edition

X-Ray Analysis and the Structure of Organic Molecules, Second Edition

How to Cite

Dunitz, J. D. (1995) Methods of Crystal Structure Analysis, in X-Ray Analysis and the Structure of Organic Molecules, Second Edition, Verlag Helvetica Chimica Acta, Zürich. doi: 10.1002/9783906390390.ch3

Author Information

  1. Laboratorium für Organische Chemie, ETH-Zentrum, Universitätstrasse 16, CH-8092 Zürich, Switzerland

Publication History

  1. Published Online: 26 APR 2007
  2. Published Print: 31 AUG 1995

ISBN Information

Print ISBN: 9783906390147

Online ISBN: 9783906390390

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Keywords:

  • crystal structure analysis;
  • methods

Summary

This chapter contains sections titled:

  • Statement of the problem

  • Trial-and-error analysis

  • Heavy-atom methods

  • Method of isomorphous replacement

  • Anomalous scattering: determination of absolute configuration

  • Direct methods

    • A simple example

    • Unitary and normalized structure factors

    • Equalities and inequalities

    • Sayre's equation

    • Probability relationships

    • Practical application of direct methods

    • Structure invariants and semi-invariants: origin and enantiomorph specification

    • Aberrant structure invariants

    • Summary of direct-method procedures