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On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane

Marsh, Richard E. (1994) On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane. Acta crystallographica. Section B, Structural science, 50 (1). pp. 112-116. ISSN 0108-7681.

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The crystal structures of the ethanol and the ethyl acetate inclusion compounds of TATM, CH(C_6-H_5OS)_3, were originally reported in space group P1, with two independent TATM molecules and one solvent molecule in the unit cell. However, the pairs of TATM molecules are closely related by centers of symmetry and the structures are better described in space group P1. Refinements in P1 led to lower e.s.d. 's and R values and to much more reasonable bond lengths, angles and U_(ij)’s for the TATM molecules; however, the solvent molecules are disordered and can be described no better in P1 than they were in P1.

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Additional Information:© 1994 International Union of Crystallography. Received 13 April 1993; accepted 31 August 1993.
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Caltech Division of Chemistry and Chemical Engineering8771
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ID Code:73602
Deposited By: Tony Diaz
Deposited On:21 Jan 2017 01:15
Last Modified:03 Oct 2019 16:29

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