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13C signals of C(2) and C(3) are very broadened. The cross-peak between C(18) and C
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20
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32244434808
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note
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13C signals of C(18) and C(19) have very close δ values.
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33846116281
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32244442617
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4243553426
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Calculations were carried out with hybrid density functional theory at the B3LYP level using the Gaussian 03 program. The relativistic effective core potential (ECP) and CEP-31G basis set were used for Ce. The split-valence d-polarized 6-31G(d) basis set was used for C. For B3LYP, see: (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100.
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32244440057
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note
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82.
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32244436120
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note
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31
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9644272377
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