Abstract

The molecular structure of furan has been determined by several structural analyses using various combinations of data from gas-phase electron diffraction, rotational spectroscopy and liquid crystal NMR spectroscopy. The benefits of using as many data from as many experimental tecniques as possible are demonstrated. The best geometrical parameters ( r 0 α) for furan assuming planarity and C 2v symmetry are: rC(2)H = 108.64 (14), rC (3) H = 108.62 (16), rC = 136.40 (9), rCO = 136.41 (7), rCC = 143.03 (19) pm, ∠ OC (2) H = 117.35 (14), ∠ C (4) C (3) H = 127.93 (19), ∠ COC = 106.74 (7)°.

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