Abstract

The success of quantitative crystal structure determination from electron diffraction data requires a valid analysis of the observed intensities. Traditional X-ray crystallographic techniques rely on the kinematic scattering model. However, some organic microcrystals exhibit significant dynamical scattering from extremely thin specimens and crystal bending further complicates the observed scattering intensity. While each of these data perturbations has been studied separately, a combined calculation is important to indicate the validity of separate treatments. Solution-grown hexatriacontane, C36 H74, a long-chain hydrocarbon with the long axis (c=95.14Å) parallel to the electron beam direction exhibits significant dynamical and bend effects. It is thus a particularly difficult structure to analyse from hkO electron diffraction data. Multislice dynamical calculations for a curved crystal lattice of this material are considered.

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