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0344834690
-
-
note
-
8. Unit cell parameters: a = 5.993-(5) Å, b = 19.071(5) Å, c = 12.063(5) Å, β = 96.130(5)°. Space group P21.
-
-
-
-
31
-
-
0345697720
-
-
note
-
8. Unit cell parameters: a = 15.8491(11) Å, b = 9.845(17) Å, c = 17.9449(12) Å, β = 106.430(6)°.Space group P21/c.
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35
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0001075468
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Yamabe, S.1
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36
-
-
0344834694
-
-
note
-
36. Unit cell parameters: a = 13.676(5) Å, b = 16.9509(16) Å, c = 13.899(3) Å, β = 113.728(19)°. Space group P21/n.
-
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37
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0000462286
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84893169025
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Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsuraga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
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42
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0345697721
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Tripos Inc.: 1699 South Hanley Road, St. Louis, MO 63144-2913
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Tripos Inc.: 1699 South Hanley Road, St. Louis, MO 63144- 2913.
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Deslongchamps, P.5
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46
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33845282786
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Dory, Y.L.1
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Berthiaume, S.3
Favre, A.4
Deslongchamps, P.5
-
48
-
-
0345697724
-
-
note
-
The third calculated conformation with a relative energy of 2.78 kcal/mol corresponds to the crystal structure of macrocycle 1.
-
-
-
-
49
-
-
0345697725
-
-
note
-
The third calculated conformation with a relative energy of 2.45 kcal/mol corresponds to the crystal structure of macrocycle 1.
-
-
-
-
50
-
-
0344834691
-
-
note
-
The lowest calculated conformation corresponds to the crystal structure of macrocycle 1.
-
-
-
-
52
-
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0027249893
-
-
Roush, W. R.; Warmus, J. S.; Works, A. B. Tetrahedron Lett. 1993, 34, 4427.
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Roush, W.R.1
Warmus, J.S.2
Works, A.B.3
-
53
-
-
0344834692
-
-
note
-
The second calculated conformation with a relative energy of 2.02 kcal/mol corresponds to the crystal structure ofmacrocycle 1 (this comes as no surprise since the pseudoaxial acetate experiences strong transannular interaction).
-
-
-
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