x | y | z | Uiso*/Ueq | ||
O1 | 0.17116 (13) | 0.36046 (6) | −0.24184 (10) | 0.0376 (3) | |
O2 | 0.75724 (12) | 0.08270 (5) | −0.02263 (9) | 0.0312 (3) | |
O3 | 0.75501 (11) | 0.01325 (4) | 0.16773 (9) | 0.0251 (2) | |
N1 | 0.65214 (13) | 0.29386 (6) | 0.27056 (11) | 0.0264 (3) | |
C1 | 0.47230 (14) | 0.25588 (6) | 0.05968 (12) | 0.0216 (3) | |
C2 | 0.34868 (15) | 0.26677 (6) | −0.07390 (13) | 0.0240 (3) | |
C3 | 0.29070 (16) | 0.34165 (7) | −0.11378 (13) | 0.0282 (3) | |
C4 | 0.35262 (18) | 0.40558 (7) | −0.02372 (15) | 0.0336 (4) | |
C5 | 0.47322 (17) | 0.39589 (7) | 0.10729 (15) | 0.0309 (3) | |
C6 | 0.53295 (15) | 0.32062 (6) | 0.14800 (13) | 0.0245 (3) | |
C7 | 0.09045 (18) | 0.29785 (9) | −0.33106 (15) | 0.0367 (4) | |
C8 | 0.66375 (15) | 0.21415 (7) | 0.26458 (12) | 0.0243 (3) | |
C9 | 0.55670 (14) | 0.18869 (6) | 0.13595 (12) | 0.0220 (3) | |
C10 | 0.77677 (16) | 0.16917 (8) | 0.38672 (13) | 0.0312 (4) | |
C11 | 0.52395 (15) | 0.10556 (6) | 0.08854 (13) | 0.0258 (3) | |
C12 | 0.68958 (14) | 0.06698 (6) | 0.06967 (12) | 0.0224 (3) | |
C13 | 0.91945 (15) | −0.02529 (7) | 0.16271 (13) | 0.0272 (3) | |
C14 | 0.98064 (19) | −0.07392 (8) | 0.29348 (16) | 0.0395 (4) | |
H1 | 0.700 (2) | 0.3250 (10) | 0.347 (2) | 0.052 (5)* | |
H2 | 0.30620 | 0.22390 | −0.13500 | 0.0290* | |
H4 | 0.31030 | 0.45630 | −0.05410 | 0.0400* | |
H5 | 0.51440 | 0.43900 | 0.16800 | 0.0370* | |
H7A | 0.18300 | 0.26750 | −0.35610 | 0.0550* | |
H7B | 0.00600 | 0.31840 | −0.41700 | 0.0550* | |
H7C | 0.02660 | 0.26440 | −0.28160 | 0.0550* | |
H10A | 0.72640 | 0.11700 | 0.38710 | 0.0470* | |
H10B | 0.77960 | 0.19600 | 0.47470 | 0.0470* | |
H10C | 0.89850 | 0.16500 | 0.37860 | 0.0470* | |
H11A | 0.42780 | 0.10380 | −0.00200 | 0.0310* | |
H11B | 0.48250 | 0.07610 | 0.15910 | 0.0310* | |
H13A | 1.01170 | 0.01370 | 0.16000 | 0.0330* | |
H13B | 0.89690 | −0.05840 | 0.07760 | 0.0330* | |
H14A | 1.00740 | −0.04020 | 0.37670 | 0.0590* | |
H14B | 1.08850 | −0.10270 | 0.29240 | 0.0590* | |
H14C | 0.88610 | −0.11070 | 0.29690 | 0.0590* |