Home The crystal and molecular structure of [24] metacyclophane I*
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The crystal and molecular structure of [24] metacyclophane I*

Published/Copyright: July 28, 2010
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Abstract

Two modifications were found in [24] metacyclophane by an x-ray diffraction method. The crystal structure of one of these modifications, [24] metacyclophane I, was determined from three-dimensional x-ray diffraction data. The space group is P21/c and the cell dimensions are a = 10.180, b = 23.375, c = 5.074 Å and β = 105° 31′. The unit cell contains two molecules and the molecule has a centre of symmetry. The intensity data were collected by an automated diffractometer and the initial structure was solved by a symbolic addition method. The final disagreement factor for all 2224 reflections was 10.1%. In the molecule the cyclophane units are connected by gauche and anti conformation alternatively and are in contact with the other units by van der Waals' distances. The two CH2 group at one linkage pair in the asymmetric unit vibrate anisotropically along the c* axis much more than those of the other chemically equivalent pair. The molecules are in contact with normal van der Waals' distances.

Published Online: 2010-07-28
Published in Print: 1974-04
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