2,9,16,23-Tetra-kis(1-methyl-eth-yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro-tetra-benzo[a,e,k,o]cyclo-eicosene

Theshini Perera; Frank R Fronczek; Steven F Watkins

doi:10.1107/S1600536811048604

2,9,16,23-Tetra-kis(1-methyl-eth-yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro-tetra-benzo[a,e,k,o]cyclo-eicosene

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3493. doi: 10.1107/S1600536811048604. Epub 2011 Nov 30.

Authors

Theshini Perera¹, Frank R Fronczek, Steven F Watkins

Affiliation

¹ Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803-1804, USA.

Abstract

The title compound, C(48)H(40), is a tetra-isopropyl-substituted polyannulenoenyne. The unsubstituted polyannulenoenyne, C(36)H(16) (CSD: RICVEE; CAS: 186494-87-1), has quasi-D(2) (222) symmetry, as determined by least-squares fit (excluding H atoms) to a model optimized in D(2) symmetry by mol-ecular 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.