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12
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0042004754
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note
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CH of about -3 Hz, which in other systems may be regarded as a medium/ small coupling, in this particular context has to be considered as a medium/ large J value.
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14
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0000657737
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more..
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20
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0042505372
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note
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The absolute HF energies provided for each conformer by ab initio calculations were used to calculate Boltzmann weighting factors at 298.15 K. Test calculations showed that the contribution of entropic terms (estimated by computing molecular frequencies) to Gibbs free energies may be neglected without affecting the final results to any significant degree.
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21
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20444483055
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Haasnoot, C. A. G.; De Leeuw, F. A. A. M.; Altona, C. Tetrahedron 1980, 36, 2783.
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Tetrahedron
, vol.36
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De Leeuw, F.A.A.M.2
Altona, C.3
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23
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0029875919
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Podlasek, C. A.; Stripe, W. A.; Carmichael, I.; Shang, M.; Basu, B.; Serianni, A. S. J. Am. Chem. Soc. 1996, 118, 1413-1425.
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Stripe, W.A.2
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Basu, B.5
Serianni, A.S.6
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24
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0042004674
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note
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22, 23
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25
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0042004673
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note
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xi values, their average J values, and experimental J are reported in Tables 2 and 3.
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26
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0041503651
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note
-
Unfortunately, the limited amount of sapinofuranone B currently available (0.5 mg) did not allow us to obtain the full set of heteronuclear J couplings for this compound also. This prevented us from comparing its experimental data with the theoretical J values derived for the diastereomer Y.
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