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Acta Cryst. (2013). C69, 910-914  [ doi:10.1107/S0108270113017496 ]

Determination of the electron density in methyl (±)-(1S,2S,3R)-2-methyl-1,3-diphenylcyclopropanecarboxylate using refinements with X-ray scattering factors from wavefunction calculations of the whole molecule

J. Bacsa and J. Briones

Synopsis: The electron density in the title substituted cyclopropane has been determined by refining single-crystal X-ray data using scattering factors derived from quantum mechanical calculations. Topological analysis of the electron densities in the three cyclopropane C-C bonds was carried out and shows the effects of substitution on these C-C bonds.

Formula: C18H18O2


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