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The preferred lowest energy conformation was calculated in the case of 3 and 4 AM1 semi-empirical calculations, and in the case of oxazolomycin 1b by using the Hartree-Fock method (6-31G* basis set) after the initial starting conformation was obtained from a sequential conformational search using CAChe Version 4.4.1 software.
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41 Intensities were corrected for absorption effects by the multi-scan method, based on multiple scans of identical and Laue equivalent reflections. All non-hydrogen atoms were refined with anisotropic displacement parameters. Hydrogen atoms were initially positioned geometrically and optimised using restraints, then refined using a riding model. Crystal data and structure refinement parameters are included in Table 3. Crystallographic data (excluding structure factors) for the structures in this letter have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication numbers CCDC 687802 and 687803. Copies of the data can be obtained, free of charge, on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK [fax: +44 (0)1223 336033 or e-mail: deposit@ccdc.cam.ac.uk.
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34
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47149108525
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note
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42-44 Microbiological assays were performed by the hole-plate method with the test organism Staphylococcus aureus N.C.T.C. 6571 or E. coli X580. Solutions (100 μl) of the compounds to be tested (4 mg/ml) were loaded into wells in bioassay plates, and incubated overnight at 37 °C. The diameters of the resultant inhibition zones were measured, and relative potency estimated by reference to standards prepared with Cephalosporin C. Minimum inhibitory concentrations were estimated by serial dilution until no inhibition zones were obtained after bioassay.
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