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The structure of cyclohexane-1, 3cis, 5cis-tricarboxylic acid, determined from powder X-ray diffraction data by H. Nowell; N. Shan; J.P. Attfield; W. Jones; W.D.S. Motherwell is a Chemistry article available to read on EtoBox.

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The previously unknown crystal structure of cyclohexane-1, 3cis, 5cis-tricarboxylic acid (CTA) has been solved from laboratory X-ray powder diffraction data using a simulated annealing algorithm followed by restrained Rietveld refinement (reduced-c 2 = 8.531 for the refined crystal structure). The structure is triclinic (P1 ̄, Z = 4). Five out of six of the CO 2 H groups in the asymmetric unit form R 2 2 (8) hydrogen bond motifs with neighbouring CO 2 H groups. The motifs connect molecules to form pseudo-hexagonal, ten-molecule rings that fuse into supramolecular buckled honeycomb sheets, which stack and are linked by O-H%O hydrogen bonds.

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Author

H. Nowell; N. Shan; J.P. Attfield; W. Jones; W.D.S. Motherwell

Publisher

Elsevier Science; Elsevier ; Pergamon Press Ltd.; Elsevier BV (ISSN 1463-0184)

Published

2003

Language

EN

Field

Chemistry (Physical Sciences)