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The structure solution is obtained by x-ray powder diffraction (XRD) pattern with data modelling by a stochastic global optimization procedure which allows simultaneous indexing and molecular packing determination.
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A preliminary determination of unit cell dimensions and molecular packing (orthorhombic, a = 1.30 nm, b = 2.22 nm, c = 3.36 nm, 4 chains, with space group Pmc21 and density 1.06 g/cm3) was made by combined analysis of the selected-area electron diffraction (SAED) and X-ray diffraction (XRD) patterns.
It shows fluorescence in Alq3 is determined at molecular level and hardly influenced by molecular packing.
The crystal structures were obtained by molecular packing calculations.
C60/Ag(1 0 0) presents a unique uniaxially incommensurate molecular packing.
The mechanism probably encompasses restricted rotation and favorable molecular packing.
Its crystal structure and molecular packing were investigated.
The molecular packing pattern of the Dpy30FL crystal indicates that Dpy30 oligomerizes with weak stability.
Moreover, molecular packing of BODIPY is strongly influenced on charge mobility [17, 19].
A molecular packing analysis was made on the five structures, using the XPac program [15].
He then proposed to extend the concept of molecular packing patterns to non-crystalline amorphous solids.
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