Rearrangements of cyclohexadienes

For calibration with an experimentally confirmed [2 + 2+2] ring opening process, the structures of the compounds involved in the [4 + 4] cycliza-tion/[2 +2+2] ring opening rearrangement of cyclohexadiene 16 to bisfulleroid 18 have been calculated (Scheme 8, Table 1). The [4 + 4] photocycHzation step... 

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