Abstract
Hydrogen atoms in phenanthrene at room temperature have been located with estimated standard deviations of ±0·07 Å by neutron diffraction analysis. With carbon atoms fixed at positions determined in a previous X-ray analysis, least-squares refinement of limited neutron diffraction data led to anR index of 0·122 over 214 independent observations. An intramolecular contact of 2·03 Å is confirmed for the bay hydrogen atoms H(4) and H(5).
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We thank Dr J. N. Sherwood for the crystal, and Professor J. Trotter for encouragement. We are grateful to Mr D. H. C. Harris and the University Support Group at A.E.R.E., Harwell, for advice, and to the S.R.C. for making neutron-diffraction facilities available. J.Y. acknowledges a scholarship from Bradford University.
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Jones, D.W., Yerkess, J. Neutron diffraction study of the crystal structure of phenanthrene. Journal of Crystal and Molecular Structure 1, 17–23 (1971). https://doi.org/10.1007/BF01200915
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DOI: https://doi.org/10.1007/BF01200915