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X-ray structure analysis of the title compound, C18H22O3, obtained under demethylation reaction conditions from 3-methoxy-17-p-toluenesulfonyloxy-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile, revealed an unusual C/D junction. The molecules connected head-to-tail by bifurcated hydrogen bonds, forming twisted chains along the a axis.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablock lacton-d

fcf

Structure factor file (CIF format)
Contains datablock sx1029

CCDC reference: 130353

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