x | y | z | Uiso*/Ueq | ||
C1 | 0.30233 (10) | 0.60315 (14) | 0.46304 (8) | 0.0376 (4) | |
C2 | 0.31928 (12) | 0.59976 (18) | 0.39942 (9) | 0.0508 (5) | |
H2 | 0.2838 | 0.6021 | 0.3677 | 0.061* | |
C3 | 0.39066 (13) | 0.59284 (19) | 0.38525 (10) | 0.0573 (6) | |
H3 | 0.4035 | 0.5891 | 0.3430 | 0.069* | |
C4 | 0.44365 (12) | 0.59128 (18) | 0.43162 (11) | 0.0539 (5) | |
H4 | 0.4915 | 0.5875 | 0.4202 | 0.065* | |
C5 | 0.42723 (10) | 0.59515 (16) | 0.49463 (9) | 0.0434 (4) | |
H5 | 0.4633 | 0.5941 | 0.5259 | 0.052* | |
C6 | 0.35545 (9) | 0.60060 (13) | 0.51051 (8) | 0.0338 (4) | |
C7 | 0.32037 (9) | 0.60416 (13) | 0.57063 (8) | 0.0321 (3) | |
C8 | 0.34576 (9) | 0.60187 (14) | 0.63289 (8) | 0.0347 (4) | |
C9 | 0.29861 (9) | 0.60208 (14) | 0.68281 (8) | 0.0360 (4) | |
C10 | 0.22473 (9) | 0.60638 (14) | 0.66796 (8) | 0.0353 (4) | |
C11 | 0.19794 (9) | 0.61140 (15) | 0.60641 (9) | 0.0375 (4) | |
H11 | 0.1489 | 0.6162 | 0.5978 | 0.045* | |
C12 | 0.24651 (9) | 0.60903 (13) | 0.55824 (8) | 0.0333 (4) | |
C13 | 0.17149 (9) | 0.61156 (15) | 0.71942 (8) | 0.0367 (4) | |
C14 | 0.15400 (10) | 0.71305 (15) | 0.74444 (8) | 0.0398 (4) | |
H14 | 0.1787 | 0.7750 | 0.7313 | 0.048* | |
C15 | 0.10101 (10) | 0.72501 (15) | 0.78834 (8) | 0.0393 (4) | |
C16 | 0.06477 (9) | 0.63314 (16) | 0.81004 (8) | 0.0384 (4) | |
C17 | 0.07991 (9) | 0.53179 (16) | 0.78529 (9) | 0.0408 (4) | |
H17 | 0.0550 | 0.4699 | 0.7983 | 0.049* | |
C18 | 0.13256 (10) | 0.52280 (15) | 0.74091 (9) | 0.0388 (4) | |
C19 | 0.15457 (11) | 0.42952 (17) | 0.46831 (10) | 0.0504 (5) | |
C20 | 0.19244 (13) | 0.36252 (19) | 0.42797 (13) | 0.0632 (6) | |
H20 | 0.2196 | 0.3928 | 0.3960 | 0.076* | |
C21 | 0.18912 (18) | 0.2500 (2) | 0.43609 (19) | 0.0933 (11) | |
H21 | 0.2144 | 0.2038 | 0.4095 | 0.112* | |
C22 | 0.1490 (2) | 0.2064 (3) | 0.4828 (2) | 0.1137 (15) | |
H22 | 0.1465 | 0.1305 | 0.4876 | 0.136* | |
C23 | 0.1125 (2) | 0.2727 (3) | 0.5224 (2) | 0.1109 (13) | |
H23 | 0.0859 | 0.2421 | 0.5546 | 0.133* | |
C24 | 0.11478 (17) | 0.3856 (2) | 0.51522 (14) | 0.0790 (8) | |
H24 | 0.0894 | 0.4310 | 0.5421 | 0.095* | |
C25 | 0.32572 (11) | 0.59430 (18) | 0.75030 (9) | 0.0488 (5) | |
H25A | 0.3757 | 0.5753 | 0.7510 | 0.073* | |
H25B | 0.2992 | 0.5388 | 0.7720 | 0.073* | |
H25C | 0.3195 | 0.6638 | 0.7709 | 0.073* | |
C26 | 0.45504 (12) | 0.6937 (2) | 0.65493 (13) | 0.0670 (7) | |
H26A | 0.4489 | 0.7400 | 0.6184 | 0.101* | |
H26B | 0.5052 | 0.6799 | 0.6626 | 0.101* | |
H26C | 0.4355 | 0.7295 | 0.6911 | 0.101* | |
N1 | 0.23420 (8) | 0.61223 (12) | 0.49177 (7) | 0.0379 (3) | |
N2 | 0.14522 (10) | 0.41316 (14) | 0.71521 (9) | 0.0547 (4) | |
O1 | 0.10190 (8) | 0.62053 (13) | 0.49305 (8) | 0.0582 (4) | |
O2 | 0.16291 (9) | 0.59563 (13) | 0.39235 (7) | 0.0590 (4) | |
O3 | 0.20623 (10) | 0.38349 (14) | 0.70792 (11) | 0.0838 (6) | |
O4 | 0.09295 (11) | 0.35658 (15) | 0.70249 (11) | 0.0870 (6) | |
O5 | 0.41857 (6) | 0.59176 (11) | 0.64406 (6) | 0.0428 (3) | |
S1 | 0.15720 (3) | 0.57206 (4) | 0.45772 (2) | 0.04322 (14) | |
Cl1 | 0.08048 (3) | 0.85490 (4) | 0.81386 (3) | 0.05761 (16) | |
Cl2 | 0.00173 (3) | 0.64492 (5) | 0.86734 (2) | 0.05700 (16) |