Untersuchung von Cyclodextrinkomplexen - OPUS - Universität ...

168 Anhang
8.4.3 Gesamtwinkelsummen der ausgewählten Cyclodextrinkonformere
Die Winkel [°] wurden anhand der glycosidischen Bindungen durchnummeriert.
CD 1 CD 2 CD 3 CD 4 CD 5 CD 6 CD7 CD 8 CD 9 CD 10
Φ (1) -14,5698 -11,2360 -20,1405 19,8521 47,1782 33,8486 41,3329 52,6443 59,9379 52,7242
Ψ (1) 27,6731 43,5828 16,0027 -0,4611 -2,5983 13,9539 15,6610 -14,3038 -27,5534 -8,1552
Φ (2) 14,1484 0,2280 39,3839 -7,8713 -3,7053 19,2180 30,3968 27,9682 -31,0150 -7,2392
Ψ (2) -9,1758 -19,1895 2,0617 39,3606 -14,0750 -0,3796 2,2320 1,4998 -5,8970 -33,9103
Φ (3) -16,7957 14,3923 0,6332 19,1930 -7,4484 -37,6490 -32,4831 -13,1759 38,9262 -17,9879
Ψ (3) 47,7443 32,1977 -7,0081 3,2233 27,0309 -7,9909 -18,6042 -26,7139 17,0996 5,3641
Φ (4) 9,4542 12,0161 -19,0771 -7,7077 12,1578 38,3858 -0,6436 -18,0610 -22,5800 -35,2704
Ψ (4) 21,9178 -13,7758 -24,3942 -30,1312 -46,3575 -5,1980 -29,5855 -27,6690 -25,1352 -23,8243
Φ (5) 8,7219 7,4359 55,8493 -4,8391 -139858 17,8198 -10,9140 15,6573 32,3551 -27,3810
Ψ (5) -9,1503 -42,1103 -17,3499 34,2287 40,0616 -35,8180 27,8419 38,0334 4,3432 83,2428
Φ (6) -2,7163 -18,5923 9,0565 20,7815 10,7271 -20,0028 -27,2392 20,2016 38,4609 36,0540
Ψ (6) 41,8156 42,6096 -16,8552 3,5908 14,7929 32,7281 38,3639 -30,8058 -12,3788 18,5258
Φ (7) 7,743 3,8715 11,5161 -42,6289 -29,9061 -24,3813 -5,1879 -31,3613 -40,1676 -26,3319
Ψ (7) -16,7044 -11,6831 -35,9624 21,9251 -18,2346 -34,9118 -46,5991 -20,4456 -15,1574 -23,8172
Φ + Ψ (1) 13,1033 32,3469 4,1378 19,3911 44,5799 47,8025 56,9940 38,3405 32,3845 44,5690
Φ + Ψ (2) 4,9726 18,9615 41,4456 31,4893 17,7803 18,8384 32,6288 29,4680 36,9120 41,1496
Φ + Ψ (3) 30,9486 46,5900 6,3749 22,4164 19,5824 45,6399 51,0873 39,8898 56,0258 12,6239
Φ + Ψ (4) 12,4636 1,7597 43,4713 37,8389 34,1997 33,1878 30,2291 45,7301 47,7152 59,0948
Φ + Ψ (5) 17,8722 34,6743 38,4994 29,3896 26,0757 17,9981 16,9280 53,6908 36,6983 55,8618
Φ + Ψ (6) 39,0992 24,0173 7,7988 24,3724 25,5199 12,7253 11,1247 10,6041 26,0821 54,5798
Φ + Ψ (7) 8,9601 7,8116 24,4463 20,7038 48,1407 59,2931 51,7870 51,8069 55,3251 50,1492
GWS 127,4196 166,1613 166,1743 185,6014 215,8796 235,4851 250,7788 269,5302 291,1429 318,0279
8.4.4 Bewertung der Konizität
Die Abstände [Å] wurden nach den Glucoseeinheiten durchnummeriert.
CD 1 CD 2 CD 3 CD 4 CD 5 CD 6 CD7 CD 8 CD 9 CD 10
Dis. (C5 C5) 1 4,58 4,52 5,66 4,54 4,27 4,43 4,62 4,30 4,17 4,49
Dis. (C5 C5) 2 4,21 4,66 4,63 4,52 4,48 4,88 4,87 4,55 5,15 4,47
Dis. (C5 C5) 3 4,70 4,22 5,22 4,34 4,94 4,61 4,88 4,49 4,40 4,59
Dis. (C5 C5) 4 4,13 4,56 4,53 4,86 4,35 4,02 3,84 4,46 4,89 5,02
Dis. (C5 C5) 5 4,51 4,12 4,57 3,61 4,52 4,75 4,25 4,66 4,79 4,50
Dis. (C5 C5) 6 4,39 4,60 5,08 4,72 4,23 5,29 4,63 5,07 4,42 4,91
Dis. (C5 C5) 7 4,41 4,31 4,03 4,49 4,83 4,10 4,50 4,44 4,74 4,35
∑ (C5) 30,93 30,99 33,72 31,08 31,62 32,08 31,59 31,97 32,56 32,33
Dis. (C3 C3) 1 4,25 5,06 3,69 4,90 4,34 5,64 3,89 5,56 4,07 4,09
Dis. (C3 C3) 2 4,78 4,30 4,43 4,18 5,34 4,97 3,97 3,67 5,14 5,11
Dis. (C3 C3) 3 5,19 4,21 5,00 5,44 3,91 4,17 4,82 3,97 3,75 3,73
Dis. (C3 C3) 4 4,19 4,08 5,09 4,27 4,48 3,94 4,39 4,66 5,39 4,57
Dis. (C3 C3) 5 4,84 4,59 3,73 4,80 4,58 5,45 4,73 4,92 3,74 5,26
Dis. (C3 C3) 6 4,26 5,28 4,48 4,11 4,32 3,74 5,62 4,27 4,01 5,43
Dis. (C3 C3) 7 4,83 4,25 5,26 4,79 5,12 4,08 4,67 4,05 4,93 5,47
∑ (C3) 32,34 31,77 31,68 32,49 32,09 31,99 32,09 31,10 31,03 33,66
∑ (C3) / ∑ (C5) 1,05 1,03 0,94 1,05 1,01 1,00 1,02 0,97 0,95 1,04