Gupta, Krishna D.; Shreeve, Jean’ne M.; Oberhammer, Heinz published the artcile< The gas-phase structure of dodecafluorooctahydrothiophene, c-C4F8SF4>, Quality Control of 112-63-0, the main research area is dodecafluorooctahydrothiophene geometry; pseudorotation barrier dodecafluorooctahydrothiophene.
The geometric structure of the title compound (I) has been determined by gas-phase electron diffraction. The five-membered ring has the twist form (C2 symmetry) with a puckering amplitude q = 0.42 (2) Å. The following principal geometric parameters (ra values) with estimated uncertainties have been derived: (C-C)av = 1.541(10), S-C = 1.896(7), S-Fe = 1.558(6), S-Fa = 1.594(6) Å, CSC = 90.0(9)°, SCC = 109.1(8)°, CCC = 106.5(12)°, FaSFe = 90.5 (15)° and FeSFe = 87.7(29)°. Vibrational amplitudes for long non-bonded C···F and F···F distances indicate a high barrier to pseudorotation of the ring.
Journal of Molecular Structure published new progress about Molecular structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics