Chapter 5. Treatment of the Results

  1. Prof. Dr. Jack D. Dunitz

Published Online: 26 APR 2007

DOI: 10.1002/9783906390390.ch5

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) Treatment of the Results, in X-Ray Analysis and the Structure of Organic Molecules, Second Edition, Verlag Helvetica Chimica Acta, Zürich. doi: 10.1002/9783906390390.ch5

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:

  • X-ray analysis;
  • treatment of the results;
  • transformations;
  • thermal motion analysis;
  • Cruickshank model

Summary

This chapter contains sections titled:

  • Long lists of numbers

  • Hazards of oblique coordinate systems

  • Linear transformations

  • Transformation from triclinic to orthonormal axes

  • Calculations in Cartesian coordinates

  • Thermal motion analysis

    • The Cruickshank model

    • Effect of libration on apparent intramolecular distances

    • General treatment of rigid-body vibrations

    • Nonrigid-body thermal motion analysis

    • Lattice-dynamical treatment of rigid-body motion

  • Accuracy of derived parameters