x | y | z | Uiso*/Ueq | ||
O1 | 0.50707 (19) | 0.14271 (17) | 0.38773 (13) | 0.0383 (4) | |
O2 | 0.8254 (2) | 0.2153 (2) | 0.23619 (15) | 0.0501 (5) | |
N1 | 0.8448 (2) | 0.2106 (2) | 0.71289 (16) | 0.0366 (5) | |
N2 | 0.9062 (2) | 0.3607 (2) | 0.71872 (16) | 0.0376 (5) | |
N3 | 0.9231 (2) | 0.3802 (2) | 0.62613 (16) | 0.0359 (5) | |
N4 | 0.4763 (2) | 0.37357 (19) | 0.34845 (14) | 0.0283 (4) | |
N5 | 0.6925 (2) | 0.4101 (2) | 0.21476 (15) | 0.0310 (5) | |
C1 | 0.9776 (3) | 0.1642 (3) | 0.89419 (19) | 0.0359 (6) | |
C2 | 1.0765 (3) | 0.0598 (3) | 0.8911 (2) | 0.0409 (6) | |
H2 | 1.0396 | −0.0190 | 0.8339 | 0.049* | |
C3 | 1.2289 (4) | 0.0720 (4) | 0.9720 (3) | 0.0650 (9) | |
H3 | 1.2943 | 0.0013 | 0.9694 | 0.078* | |
C4 | 1.2843 (5) | 0.1865 (6) | 1.0557 (3) | 0.0935 (15) | |
H4 | 1.3868 | 0.1928 | 1.1106 | 0.112* | |
C5 | 1.1909 (6) | 0.2932 (5) | 1.0604 (3) | 0.0947 (16) | |
H5 | 1.2312 | 0.3731 | 1.1171 | 0.114* | |
C6 | 1.0353 (5) | 0.2807 (3) | 0.9796 (2) | 0.0610 (9) | |
H6 | 0.9699 | 0.3512 | 0.9831 | 0.073* | |
C7 | 0.8123 (3) | 0.1525 (3) | 0.8049 (2) | 0.0442 (7) | |
H7A | 0.7476 | 0.0468 | 0.7836 | 0.053* | |
H7B | 0.7415 | 0.2096 | 0.8294 | 0.053* | |
C8 | 0.8216 (3) | 0.1340 (3) | 0.6177 (2) | 0.0364 (6) | |
H8 | 0.7799 | 0.0296 | 0.5944 | 0.044* | |
C9 | 0.8726 (3) | 0.2424 (3) | 0.56202 (19) | 0.0321 (6) | |
C10 | 0.8729 (3) | 0.2271 (3) | 0.45103 (19) | 0.0346 (6) | |
H10A | 0.8279 | 0.1209 | 0.4181 | 0.042* | |
H10B | 0.9915 | 0.2590 | 0.4515 | 0.042* | |
C11 | 0.5716 (3) | 0.2698 (2) | 0.37552 (18) | 0.0282 (5) | |
C12 | 0.7630 (3) | 0.3225 (2) | 0.38576 (18) | 0.0284 (5) | |
H12 | 0.8070 | 0.4292 | 0.4202 | 0.034* | |
C13 | 0.7673 (3) | 0.3110 (3) | 0.27368 (19) | 0.0324 (6) | |
C14 | 0.6468 (3) | 0.5362 (2) | 0.26045 (17) | 0.0286 (5) | |
C15 | 0.6992 (3) | 0.6803 (3) | 0.2368 (2) | 0.0357 (6) | |
H15 | 0.7607 | 0.6919 | 0.1898 | 0.043* | |
C16 | 0.6620 (3) | 0.8055 (3) | 0.2814 (2) | 0.0403 (6) | |
H16 | 0.6977 | 0.9004 | 0.2641 | 0.048* | |
C17 | 0.5715 (3) | 0.7908 (3) | 0.3521 (2) | 0.0385 (6) | |
H17 | 0.5500 | 0.8760 | 0.3844 | 0.046* | |
C18 | 0.5137 (3) | 0.6485 (2) | 0.37394 (19) | 0.0324 (5) | |
H18 | 0.4513 | 0.6384 | 0.4205 | 0.039* | |
C19 | 0.5468 (3) | 0.5196 (2) | 0.32765 (17) | 0.0268 (5) | |
C20 | 0.2922 (3) | 0.3329 (3) | 0.3420 (2) | 0.0364 (6) | |
H20A | 0.2357 | 0.2351 | 0.2985 | 0.055* | |
H20B | 0.2356 | 0.4080 | 0.3118 | 0.055* | |
H20C | 0.2857 | 0.3293 | 0.4117 | 0.055* | |
C21 | 0.7053 (3) | 0.4078 (3) | 0.1087 (2) | 0.0440 (7) | |
H21A | 0.8197 | 0.4626 | 0.1138 | 0.066* | |
H21B | 0.6207 | 0.4549 | 0.0672 | 0.066* | |
H21C | 0.6841 | 0.3044 | 0.0756 | 0.066* |