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The crystal structure of 2-one phenanthrene (C 16 H 16 O 2 ) has been determined from three-dimensional X-ray data. The space group is  P 2 1 / c  with unit-cell parameters  a  = 12.519(9) Å,  b  = 7.654(3) Å,  c  = 12.988(3) Å,  β  = 98.14°(3),  Z  = 4,  V  = 1231.51 Å 3 ,  D c   = 1.24 g/ml,  D o   = 1.23 g/ml,  μ  = 6.8/cm,  λ  = 1.5418 Å,  F (000) = 512 and 1840 observed reflections ( R  = 0.051). The H-atoms were located from difference syntheses. The structural relationships between the rings are discussed.

The crystal structure of cis-3-hydroxy-4a,9,10,10a-tetrahydro-1,4a-ethanophenanthren-2(1H)-one (2-one phenanthrene)