x | y | z | Uiso*/Ueq | ||
N1 | 0.4536 (7) | −0.3135 (2) | 0.1424 (3) | 0.0634 (12) | |
N2 | 0.1193 (5) | 0.0260 (2) | 0.1132 (2) | 0.0453 (9) | |
N3 | 0.0063 (5) | 0.0908 (2) | 0.1112 (3) | 0.0460 (9) | |
O1 | 0.3670 (6) | −0.3698 (2) | 0.1665 (3) | 0.0923 (13) | |
O2 | 0.6283 (6) | −0.3132 (2) | 0.1217 (3) | 0.0930 (13) | |
O3 | 0.2843 (4) | 0.15868 (16) | 0.0864 (2) | 0.0650 (10) | |
O4 | −0.3188 (4) | 0.43167 (16) | 0.0795 (2) | 0.0709 (10) | |
O5 | 0.5933 (4) | 0.05685 (17) | 0.1482 (3) | 0.0642 (10) | |
H5 | 0.4898 | 0.0767 | 0.1237 | 0.096* | |
C1 | 0.1378 (6) | −0.1068 (2) | 0.1293 (3) | 0.0424 (11) | |
C2 | 0.3344 (6) | −0.1112 (2) | 0.1018 (3) | 0.0529 (12) | |
H2 | 0.3964 | −0.0682 | 0.0801 | 0.063* | |
C3 | 0.4373 (6) | −0.1786 (3) | 0.1064 (3) | 0.0549 (13) | |
H3 | 0.5680 | −0.1817 | 0.0876 | 0.066* | |
C4 | 0.3437 (7) | −0.2407 (2) | 0.1391 (3) | 0.0493 (12) | |
C5 | 0.1521 (7) | −0.2403 (3) | 0.1657 (3) | 0.0586 (13) | |
H5A | 0.0922 | −0.2840 | 0.1866 | 0.070* | |
C6 | 0.0480 (6) | −0.1719 (3) | 0.1607 (3) | 0.0563 (13) | |
H6 | −0.0834 | −0.1699 | 0.1786 | 0.068* | |
C7 | 0.0276 (6) | −0.0354 (3) | 0.1262 (3) | 0.0495 (12) | |
H7 | −0.1100 | −0.0350 | 0.1338 | 0.059* | |
C8 | 0.1041 (7) | 0.1569 (2) | 0.0971 (3) | 0.0461 (11) | |
C9 | −0.0195 (6) | 0.2263 (2) | 0.0959 (3) | 0.0449 (11) | |
C10 | −0.2157 (6) | 0.2311 (2) | 0.1201 (3) | 0.0508 (12) | |
H10 | −0.2785 | 0.1877 | 0.1403 | 0.061* | |
C11 | −0.3223 (6) | 0.2981 (2) | 0.1153 (3) | 0.0535 (12) | |
H11 | −0.4551 | 0.2998 | 0.1314 | 0.064* | |
C12 | −0.2287 (7) | 0.3619 (2) | 0.0864 (3) | 0.0540 (12) | |
C13 | −0.0345 (7) | 0.3593 (3) | 0.0605 (4) | 0.0829 (18) | |
H13 | 0.0277 | 0.4028 | 0.0402 | 0.100* | |
C14 | 0.0666 (7) | 0.2920 (3) | 0.0649 (4) | 0.0745 (16) | |
H14 | 0.1977 | 0.2904 | 0.0465 | 0.089* | |
C15 | −0.5263 (8) | 0.4384 (3) | 0.0967 (4) | 0.0833 (17) | |
H15A | −0.6078 | 0.4115 | 0.0477 | 0.125* | |
H15B | −0.5642 | 0.4907 | 0.0951 | 0.125* | |
H15C | −0.5467 | 0.4177 | 0.1589 | 0.125* | |
C16 | 0.5721 (7) | 0.0414 (3) | 0.2467 (4) | 0.0823 (17) | |
H16A | 0.6181 | −0.0089 | 0.2617 | 0.123* | |
H16B | 0.4327 | 0.0459 | 0.2588 | 0.123* | |
H16C | 0.6512 | 0.0767 | 0.2863 | 0.123* | |
H3A | −0.128 (2) | 0.087 (2) | 0.116 (3) | 0.080* |