Acta Crystallographica Section E (Dec 2011)

2,9,16,23-Tetrakis(1-methylethyl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydrotetrabenzo[a,e,k,o]cycloeicoseneCAS 186494-88-2.

  • Theshini Perera,
  • Frank R. Fronczek,
  • Steven F. Watkins

DOI
https://doi.org/10.1107/S1600536811048604
Journal volume & issue
Vol. 67, no. 12
pp. o3493 – o3493

Abstract

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The title compound, C48H40, is a tetraisopropyl-substituted polyannulenoenyne. The unsubstituted polyannulenoenyne, C36H16 (CSD: RICVEE; CAS: 186494-87-1), has quasi-D2 (222) symmetry, as determined by least-squares fit (excluding H atoms) to a model optimized in D2 symmetry by molecular mechanics (r.m.s. deviation = 0.239 Å). The least-squares fits of 36 common C atoms of the title compound (at 90 K) to the parent (at 295 K) and to the optimized model show r.m.s. deviations of 0.419 and 0.426 Å, respectively.