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Least-squares refinement of molecular structure of polyoxymethylene
Authors:Yasuhiro Takahashi  Hiroyuki Tadokoro
Abstract:Least-squares refinement of the molecular structure of polyoxymethylene was carried out by using intensity data measured with an automatic four-circle diffractometer. The discrepancy factor was improved to 4.1% by using the anisotropic temperature factor. Physically significant values were obtained for the bond length, bond angles, and internal rotation angle: C? O = 1.429 ± 0.008 Å, ∠COC = 112.9 ± 0.6°, ∠OCO = 110.4 ± 0.8°, and τ(C? O) = 77.0 ± 0.3°. Samples for x-ray diffraction measurements were prepared by solid state polymerization of a tetroxocane single crystal.
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