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The molecular structure and conformational composition of 3-hexyn-1,6-diol have been studied by the gas electron diffraction method and by ab initio calculations. Four conformers (AA, G+G−, G+G+ and GA) have been taken into account. The experimental data are in accordance with a conformational mixture consisting of 62.2% GG (equal parts of G+G− and G+G+) and 37.8% GA with a standard deviation of 10...