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.
oleh: Theshini Perera, Frank R. Fronczek, Steven F. Watkins
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2011-12-01 |
Deskripsi
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.