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The molecular and crystal structure of kavaic acid*
Published/Copyright:
July 28, 2010
Abstract
The crystal structure of kavaic acid, C14H14O3, has been determined by x-ray diffraction methods using the symbolic addition procedure. The crystals are monoclinic with space group P21/c–C2h5, having cell dimensions a = 23.493, b = 5.869, c = 9.138 Å and β = 91.664°. There are four molecules per unit cell giving a calculated density of 1.213 g/cm3. The refinement by block-diagonal matrix least squares with anisotropic temperature factors for non-hydrogen atoms led to a final R value of 0.071 for 1797 reflections. The molecules are approximately planar. Hydrogen bonds connect two molecules in a dimer configuration across the center of symmetry.
Published Online: 2010-07-28
Published in Print: 1974-04
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