x | y | z | Uiso*/Ueq | ||
C1 | 0.28763 (13) | 0.18689 (18) | 0.26516 (10) | 0.0359 (4) | |
C2 | 0.25191 (16) | 0.3029 (2) | 0.21582 (11) | 0.0464 (4) | |
H2 | 0.3036 | 0.3535 | 0.1936 | 0.056* | |
C3 | 0.14023 (18) | 0.3444 (3) | 0.19930 (13) | 0.0606 (6) | |
H3 | 0.1171 | 0.4232 | 0.1665 | 0.073* | |
C4 | 0.06346 (18) | 0.2691 (3) | 0.23138 (15) | 0.0693 (7) | |
H4 | −0.0121 | 0.2951 | 0.2197 | 0.083* | |
C5 | 0.09918 (17) | 0.1546 (3) | 0.28107 (14) | 0.0620 (6) | |
H5 | 0.0466 | 0.1044 | 0.3027 | 0.074* | |
C6 | 0.21099 (15) | 0.1116 (2) | 0.29999 (11) | 0.0446 (4) | |
C7 | 0.24895 (19) | −0.0078 (2) | 0.35748 (13) | 0.0628 (6) | |
H7A | 0.1847 | −0.0521 | 0.3722 | 0.094* | |
H7B | 0.2969 | 0.0351 | 0.401 | 0.094* | |
H7C | 0.2896 | −0.0827 | 0.3361 | 0.094* | |
C8 | 0.43487 (15) | 0.36933 (19) | 0.41804 (9) | 0.0395 (4) | |
C9 | 0.47389 (18) | 0.2563 (2) | 0.46833 (11) | 0.0518 (5) | |
H9 | 0.5289 | 0.1915 | 0.4585 | 0.062* | |
C10 | 0.4311 (2) | 0.2392 (3) | 0.53349 (12) | 0.0656 (6) | |
H10 | 0.4559 | 0.1615 | 0.5666 | 0.079* | |
C11 | 0.3524 (2) | 0.3374 (3) | 0.54873 (13) | 0.0687 (7) | |
H11 | 0.3252 | 0.3283 | 0.5931 | 0.082* | |
C12 | 0.31363 (18) | 0.4494 (3) | 0.49840 (12) | 0.0614 (6) | |
H12 | 0.2603 | 0.5155 | 0.5095 | 0.074* | |
C13 | 0.35181 (15) | 0.4668 (2) | 0.43141 (10) | 0.0464 (5) | |
C14 | 0.3050 (2) | 0.5866 (3) | 0.37677 (16) | 0.0643 (6) | |
C15 | 0.71094 (14) | 0.1945 (2) | 0.36813 (10) | 0.0399 (4) | |
C16 | 0.76182 (16) | 0.1141 (2) | 0.43050 (12) | 0.0530 (5) | |
H16 | 0.7234 | 0.0378 | 0.4492 | 0.064* | |
C17 | 0.87118 (17) | 0.1486 (3) | 0.46506 (13) | 0.0607 (6) | |
H17 | 0.9056 | 0.0944 | 0.5072 | 0.073* | |
C18 | 0.93031 (17) | 0.2605 (3) | 0.43883 (13) | 0.0575 (5) | |
C19 | 0.87634 (17) | 0.3392 (3) | 0.37669 (13) | 0.0633 (6) | |
H19 | 0.9143 | 0.4163 | 0.3583 | 0.076* | |
C20 | 0.76747 (16) | 0.3071 (2) | 0.34082 (12) | 0.0539 (5) | |
H20 | 0.7331 | 0.3613 | 0.2987 | 0.065* | |
C21 | 1.0505 (2) | 0.2947 (4) | 0.47617 (17) | 0.0897 (9) | |
H21A | 1.0534 | 0.3242 | 0.5276 | 0.135* | |
H21B | 1.0784 | 0.3741 | 0.4495 | 0.135* | |
H21C | 1.0959 | 0.2075 | 0.4751 | 0.135* | |
N1 | 0.40296 (12) | 0.14475 (16) | 0.28185 (9) | 0.0387 (3) | |
N2 | 0.48102 (13) | 0.38993 (16) | 0.35183 (8) | 0.0393 (3) | |
O1 | 0.53434 (10) | 0.33484 (13) | 0.22624 (7) | 0.0420 (3) | |
O2 | 0.60148 (10) | 0.15191 (13) | 0.33463 (7) | 0.0444 (3) | |
P1 | 0.50634 (4) | 0.26305 (4) | 0.29312 (2) | 0.03385 (15) | |
H1 | 0.4230 (17) | 0.0477 (18) | 0.2912 (12) | 0.062 (6)* | |
H21 | 0.4928 (17) | 0.4862 (18) | 0.3421 (12) | 0.061 (6)* | |
H14C | 0.267 (3) | 0.548 (3) | 0.3309 (19) | 0.104 (10)* | |
H14B | 0.249 (3) | 0.645 (4) | 0.3955 (18) | 0.123 (11)* | |
H14A | 0.363 (3) | 0.660 (3) | 0.3641 (17) | 0.105 (10)* |