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Crystal and molecular structure of triptycene, refined using constraint procedures

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Abstract

The crystal structure of triptycene has been solved by packing considerations. 1585 reflexions were used in the refinement. In this refinement, the molecule was constrained to obey its free-state symmetry ¯6m2(D 3h) and to have atomic anisotropic temperature factors in agreement with a rigid-body model of molecular motion. In this way the reliability of the average molecular geometry is optimized.

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Author notes

  1. G. S. Pawley

    Present address: Department of Physics, Edinburgh University, Scotland

Authors and Affiliations

  1. Chemistry Department, Aarhus University, Denmark

    R. G. Hazell, G. S. Pawley & C. E. Lund Petersen

Authors
  1. R. G. Hazell
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  2. G. S. Pawley
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  3. C. E. Lund Petersen
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Hazell, R.G., Pawley, G.S. & Lund Petersen, C.E. Crystal and molecular structure of triptycene, refined using constraint procedures. Journal of Crystal and Molecular Structure 1, 319–324 (1971). https://doi.org/10.1007/BF01200806

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  • DOI: https://doi.org/10.1007/BF01200806

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