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For an alternative approach to this objective, see (a) Sato M., Kitazawa N., Nagashima S., Kaneko C., Inoue N., Furuya T. Tetrahedron. 47:1991;7271-7278 (b) Sato M., Kitazawa N., Nagashima S., Kano K., Kaneko C. Chem. Lett. 1992;485-488.
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For an alternative approach to this objective, see (a)
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For an alternative approach to this objective, see (a) Sato M., Kitazawa N., Nagashima S., Kaneko C., Inoue N., Furuya T. Tetrahedron. 47:1991;7271-7278 (b) Sato M., Kitazawa N., Nagashima S., Kano K., Kaneko C. Chem. Lett. 1992;485-488.
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0012256583
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The various conformations of 12 containing s-cis enone units were generated using Quantum CAChe 4.5 (Fujitsu) and their geometries optimised using an augmented MM3 force field. The results suggest that the hydrogen-bonded arrangement depicted for 12 in Figure 2 is 4.9 kcal/mol lower in energy than the closest alternative
-
The various conformations of 12 containing s-cis enone units were generated using Quantum CAChe 4.5 (Fujitsu) and their geometries optimised using an augmented MM3 force field. The results suggest that the hydrogen-bonded arrangement depicted for 12 in Figure 2 is 4.9 kcal/mol lower in energy than the closest alternative.
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41
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0012341594
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Crystallographic data (excluding structure factors) for compound 20 have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication number CCDC 192457. Copies of the data can be obtained, free of charge, on application to CCDC, 12 Union Road, Cambridge, CB2 1EZ, UK (fax: +44-1223-336033 or e-mail: deposit@ccdc.cam.ac.uk)
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Crystallographic data (excluding structure factors) for compound 20 have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication number CCDC 192457. Copies of the data can be obtained, free of charge, on application to CCDC, 12 Union Road, Cambridge, CB2 1EZ, UK (fax: +44-1223-336033 or e-mail: deposit@ccdc.cam.ac.uk).
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42
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0004007270
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0012354428
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1H NMR spectrum of this sample was identical to that of a sample of (±)-36, supplied by Dr A. P. Flynn, Mereside Laboratories, AstraZeneca
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1H NMR spectrum of this sample was identical to that of a sample of (±)-36, supplied by Dr A. P. Flynn, Mereside Laboratories, AstraZeneca.
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