x | y | z | Uiso*/Ueq | ||
O1 | 0.66613 (12) | 0.62373 (18) | −0.03281 (8) | 0.0712 (6) | |
O2 | 0.53649 (13) | 0.8021 (2) | −0.11913 (9) | 0.0837 (7) | |
N1 | 0.62925 (12) | 0.57325 (17) | 0.08026 (8) | 0.0485 (5) | |
N2 | 0.55538 (12) | 0.61513 (18) | 0.11211 (9) | 0.0540 (6) | |
C3 | 0.49372 (15) | 0.7059 (2) | 0.06310 (11) | 0.0526 (6) | |
C4 | 0.52380 (15) | 0.7271 (2) | −0.00295 (10) | 0.0512 (7) | |
C5 | 0.61166 (15) | 0.6395 (2) | 0.01114 (10) | 0.0514 (7) | |
C6 | 0.70789 (14) | 0.4754 (2) | 0.12184 (10) | 0.0480 (6) | |
C7 | 0.77805 (16) | 0.4233 (3) | 0.09027 (12) | 0.0651 (8) | |
C8 | 0.85362 (18) | 0.3279 (3) | 0.13225 (13) | 0.0744 (9) | |
C9 | 0.85957 (17) | 0.2840 (3) | 0.20516 (12) | 0.0668 (8) | |
C10 | 0.78986 (16) | 0.3365 (2) | 0.23610 (11) | 0.0617 (7) | |
C11 | 0.71414 (15) | 0.4321 (2) | 0.19540 (10) | 0.0547 (7) | |
C12 | 0.48768 (17) | 0.8096 (2) | −0.07168 (12) | 0.0612 (7) | |
C13 | 0.39531 (18) | 0.9041 (3) | −0.09255 (13) | 0.0753 (9) | |
C14 | 0.40749 (17) | 0.7731 (3) | 0.08202 (13) | 0.0771 (9) | |
O21 | 0.23044 (14) | 0.0334 (2) | 0.01074 (9) | 0.0987 (8) | |
O22 | 0.18315 (17) | 0.1293 (3) | −0.12625 (11) | 0.1230 (10) | |
N21 | 0.11930 (13) | 0.1209 (2) | 0.07053 (9) | 0.0632 (7) | |
N22 | 0.03141 (16) | 0.2078 (3) | 0.04976 (11) | 0.0871 (9) | |
C23 | 0.01369 (18) | 0.2479 (3) | −0.02204 (13) | 0.0760 (9) | |
C24 | 0.08731 (16) | 0.1905 (2) | −0.05120 (11) | 0.0617 (8) | |
C25 | 0.15261 (17) | 0.1086 (2) | 0.01064 (12) | 0.0622 (8) | |
C26 | 0.15670 (17) | 0.0590 (2) | 0.14600 (11) | 0.0591 (7) | |
C27 | 0.2554 (2) | 0.0047 (3) | 0.17540 (14) | 0.0830 (10) | |
C28 | 0.2890 (2) | −0.0560 (3) | 0.24905 (15) | 0.0940 (11) | |
C29 | 0.2273 (2) | −0.0600 (3) | 0.29305 (14) | 0.0882 (10) | |
C30 | 0.1312 (2) | −0.0014 (3) | 0.26406 (14) | 0.0818 (10) | |
C31 | 0.09504 (19) | 0.0573 (3) | 0.19051 (12) | 0.0706 (8) | |
C32 | 0.1070 (2) | 0.2010 (3) | −0.12067 (13) | 0.0786 (10) | |
C33 | 0.0467 (2) | 0.2899 (3) | −0.18792 (13) | 0.0988 (11) | |
C34 | −0.0776 (2) | 0.3424 (4) | −0.06259 (17) | 0.1267 (14) | |
H1O | 0.64280 | 0.67500 | −0.07140 | 0.1070* | |
H7 | 0.77450 | 0.45230 | 0.04090 | 0.0780* | |
H8 | 0.90090 | 0.29290 | 0.11090 | 0.0890* | |
H9 | 0.91040 | 0.21950 | 0.23310 | 0.0800* | |
H10 | 0.79360 | 0.30710 | 0.28550 | 0.0740* | |
H11 | 0.66750 | 0.46730 | 0.21730 | 0.0660* | |
H13A | 0.38720 | 0.95360 | −0.14030 | 0.1130* | |
H13B | 0.40330 | 0.97420 | −0.05220 | 0.1130* | |
H13C | 0.33570 | 0.84560 | −0.09860 | 0.1130* | |
H14A | 0.34390 | 0.75280 | 0.04120 | 0.1160* | |
H14B | 0.41750 | 0.87630 | 0.08720 | 0.1160* | |
H14C | 0.40560 | 0.73360 | 0.12990 | 0.1160* | |
H21O | 0.23880 | 0.04250 | −0.03110 | 0.1480* | |
H27 | 0.29860 | 0.00880 | 0.14640 | 0.1000* | |
H28 | 0.35480 | −0.09470 | 0.26880 | 0.1130* | |
H29 | 0.25040 | −0.10200 | 0.34210 | 0.1060* | |
H30 | 0.08950 | −0.00120 | 0.29430 | 0.0980* | |
H31 | 0.02910 | 0.09560 | 0.17120 | 0.0850* | |
H33A | 0.06630 | 0.26630 | −0.23180 | 0.1480* | |
H33B | 0.05960 | 0.39110 | −0.17560 | 0.1480* | |
H33C | −0.02510 | 0.27020 | −0.20000 | 0.1480* | |
H34A | −0.11410 | 0.36330 | −0.02790 | 0.1910* | |
H34B | −0.12220 | 0.29250 | −0.10740 | 0.1910* | |
H34C | −0.05460 | 0.43150 | −0.07830 | 0.1910* |