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opt value of 1.400 Å, rather than 1.388 Å as specified in ref 13. In addition, the reported HOMA value of 0.35 apparently was computed for the entire molecule (including all the benzene bonds) and not just the [16]annulene core.
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63
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14744284703
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note
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1 structure ca. 7 kcal/mol lower. These structures showed little evidence for aromaticity and were not pursued further.
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64
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14744297702
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note
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2 symmetry.
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65
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14744300869
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note
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Benzenes were placed at positions where the HCCH dihedrals in the parent system were close to 0° to ensure that any loss of delocalization was due to the "Clar effect" rather than to changes in the dihedral angles.
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