Crystal structure analysis of polyethylene with electron diffraction intensity data: Deconvolution of multiple scattering effects

Recent determinations of n-paraffin and polyethylene crystal structures from electron diffraction data have claimed chain setting angles different from those reported for n-hexatriacontane. Re-evaluation of these data show that these determinations must be questioned because the intensities used were badly marred by multiple scattering. Due to the complexity of this phenomenon, efforts to deconvolute this error source are only partially successful. An independent structure determination for mostly unilamellar crystals of very low molecular weight polyethylene with data less affected by multiple scattering indicates that the atomic coordinates originally proposed for polyethylene in the earliest X-ray structure can still be justified.