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note
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Part of this work has previously been reported in preliminary form.
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14
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0030200009
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For a related, possibly even more strained macrocyclic system with a similar stereostructure (according to an X-ray structure analysis) and with a near-identical CD spectrum-though without assignment of the absolute configuration, see: Toyota, M.; Yoshida, T.; Kan, Y.; Takaoka, S.; Asakawa, Y. Tetrahedron Lett. 1996, 37, 4745-4748.
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For earlier computational CD studies on likewise flexible natural product molecules based on MD and conformational analysis, see: (a) Bringmann, G.; Dreyer, M.; Faber, J. H.; Dalsgaard, P. W.; Staerk, D.; Jaroszewski, J. W.; Ndangalasi, H.; Mbago, F.; Brun, R.; Reichert, M.; Maksimenka, K.; Christensen, S. B. J. Nat. Prod. 2003, 66, 1159-1165.
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For method-oriented work on LC-CD coupling, see: Mannschreck, A. Chirality 1992, 4, 163-169.
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Chirality
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Mannschreck, A.1
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For LC-CD analysis of synthetic compounds, see: Mino, T.; Tanaka, Y.; Yabusaki, T.; Okumura, D.; Sakamoto, M.; Fujita, T. Tetrahedron: Asymmetry 2003, 14, 2503-2506.
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42
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note
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The formal value of the standard deviation for the linear regression was determined as ±1.0 kJ/mol; this, however, does not yet take into account systematic errors, so that an overall deviation of ∼±10 kJ/mol was estimated.
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