Direct methods in polymer fiber diffraction – the crystal structure of poly(ethylene terephthalate)
Abstract
Using an x-ray fiber data set from poly(ethylene terephthalate) originally published in 1954, the crystal structure of the polymer was determined by direct methods, via symbolic addition. Of the 68 measured amplitudes, 62 were assigned phase values. Although eight of these terms were incorrectly determined, the ensuing electron density map was a sufficiently well-defined density envelope for fitting the polymer backbone, therefore directly establishing the validity of the earlier determined packing model. On the other hand, visualization of individual atomic positions in the benzene ring was not possible from the electron density map generated from this phase set, even though they would have been found if all phases had been correct.
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Articles in the same Issue
- On an intrinsic mechanism of surface defect formation producing polar, multidomain real-structures in molecular crystals
- Direct methods in polymer fiber diffraction – the crystal structure of poly(ethylene terephthalate)
- Lattice potentials as an instrument in crystal chemistry. IV. Surface Madelung Factors1
- The crystal structure of Tutton's salt type K2[Co(H2O)6](SO4)2. A combined X-ray and neutron study
- Crystal structure refinements of InxFe3−xO4(x ≤ 0.3) spinels by the Rietveld method
- Crystal structures of aminophenalenones with relation to their spectral properties
- Preparation and X-ray structure of bis(1-methyl-3-ethylbenzimidazolidine-2-ylium) tetrafluoroborate
- Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
- The crystal structure and optics of trans-bis((4-(phenylethynyl)phenyl)ethynyl)bis(tributylphosphine)-platinum(II): trans-[(nBu3P)2Pt(C≡CC6H4C≡CC6H5)2]
- The crystal and molecular structures of A(S2COCH2CH2CMe3)3, A = As(III), Sb(III) and Bi(III)
- Structure and isomerization in N,N-dimethyl-l,3-propanediamine nickel(II) thiocyanate
- Books Received
Articles in the same Issue
- On an intrinsic mechanism of surface defect formation producing polar, multidomain real-structures in molecular crystals
- Direct methods in polymer fiber diffraction – the crystal structure of poly(ethylene terephthalate)
- Lattice potentials as an instrument in crystal chemistry. IV. Surface Madelung Factors1
- The crystal structure of Tutton's salt type K2[Co(H2O)6](SO4)2. A combined X-ray and neutron study
- Crystal structure refinements of InxFe3−xO4(x ≤ 0.3) spinels by the Rietveld method
- Crystal structures of aminophenalenones with relation to their spectral properties
- Preparation and X-ray structure of bis(1-methyl-3-ethylbenzimidazolidine-2-ylium) tetrafluoroborate
- Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
- The crystal structure and optics of trans-bis((4-(phenylethynyl)phenyl)ethynyl)bis(tributylphosphine)-platinum(II): trans-[(nBu3P)2Pt(C≡CC6H4C≡CC6H5)2]
- The crystal and molecular structures of A(S2COCH2CH2CMe3)3, A = As(III), Sb(III) and Bi(III)
- Structure and isomerization in N,N-dimethyl-l,3-propanediamine nickel(II) thiocyanate
- Books Received
