x | y | z | Uiso*/Ueq | ||
C1 | 0.66157 (19) | 0.63782 (15) | 0.69324 (15) | 0.0191 (3) | |
C2 | 0.6658 (2) | 0.62422 (15) | 0.81884 (15) | 0.0212 (3) | |
H2 | 0.5724 | 0.5864 | 0.8899 | 0.025* | |
C3 | 0.8017 (2) | 0.66400 (15) | 0.84382 (15) | 0.0216 (3) | |
C4 | 0.9374 (2) | 0.71600 (15) | 0.73790 (15) | 0.0202 (3) | |
H4 | 1.0328 | 0.7416 | 0.7525 | 0.024* | |
C5 | 0.93938 (19) | 0.73229 (15) | 0.61020 (15) | 0.0181 (3) | |
C6 | 0.79712 (19) | 0.69657 (14) | 0.58680 (15) | 0.0168 (3) | |
C7 | 0.79622 (18) | 0.71572 (15) | 0.44807 (15) | 0.0175 (3) | |
C8 | 0.8730 (2) | 0.59338 (16) | 0.37804 (16) | 0.0238 (4) | |
H8A | 0.8710 | 0.6069 | 0.2895 | 0.036* | |
H8B | 0.8079 | 0.5150 | 0.4267 | 0.036* | |
H8C | 0.9892 | 0.5802 | 0.3731 | 0.036* | |
C9 | 0.86927 (19) | 0.84742 (16) | 0.36088 (15) | 0.0190 (3) | |
H9A | 0.8701 | 0.9204 | 0.4114 | 0.023* | |
H9B | 0.9806 | 0.8360 | 0.2918 | 0.023* | |
C10 | 0.62618 (19) | 0.75748 (15) | 0.42989 (15) | 0.0189 (3) | |
H10B | 0.5741 | 0.6854 | 0.4069 | 0.023* | |
H10A | 0.5440 | 0.7998 | 0.5038 | 0.023* | |
C11 | 0.72371 (19) | 0.85766 (15) | 0.31115 (15) | 0.0181 (3) | |
H11 | 0.7558 | 0.8179 | 0.2273 | 0.022* | |
C12 | 0.5091 (2) | 0.58448 (17) | 0.67897 (17) | 0.0255 (4) | |
H12A | 0.5442 | 0.5430 | 0.5980 | 0.038* | |
H12B | 0.4298 | 0.6575 | 0.6761 | 0.038* | |
H12C | 0.4549 | 0.5185 | 0.7536 | 0.038* | |
C13 | 0.8009 (2) | 0.64947 (18) | 0.98136 (16) | 0.0283 (4) | |
H13A | 0.7400 | 0.5695 | 1.0308 | 0.042* | |
H13B | 0.7456 | 0.7273 | 1.0240 | 0.042* | |
H13C | 0.9166 | 0.6421 | 0.9784 | 0.042* | |
C14 | 1.09987 (19) | 0.78228 (18) | 0.50263 (16) | 0.0233 (4) | |
H14A | 1.1277 | 0.7295 | 0.4294 | 0.035* | |
H14B | 1.1912 | 0.7741 | 0.5361 | 0.035* | |
H14C | 1.0846 | 0.8756 | 0.4727 | 0.035* | |
C15 | 0.63834 (19) | 0.98988 (16) | 0.30363 (15) | 0.0196 (3) | |
C16 | 0.4891 (2) | 1.00148 (15) | 0.26088 (16) | 0.0217 (3) | |
H16A | 0.3888 | 1.0322 | 0.3314 | 0.026* | |
H16B | 0.5121 | 1.0673 | 0.1824 | 0.026* | |
C17 | 0.35862 (19) | 0.87125 (16) | 0.16126 (15) | 0.0193 (3) | |
C18 | 0.2842 (2) | 0.98135 (16) | 0.11452 (16) | 0.0231 (4) | |
H18 | 0.2968 | 1.0674 | 0.1337 | 0.028* | |
C19 | 0.1910 (2) | 0.96324 (19) | 0.03910 (18) | 0.0302 (4) | |
H19 | 0.1404 | 1.0381 | 0.0062 | 0.036* | |
C20 | 0.1703 (2) | 0.8385 (2) | 0.01108 (17) | 0.0304 (4) | |
H20 | 0.1088 | 0.8280 | −0.0425 | 0.036* | |
C21 | 0.2405 (2) | 0.72904 (18) | 0.06224 (18) | 0.0290 (4) | |
H21 | 0.2240 | 0.6427 | 0.0459 | 0.035* | |
C22 | 0.3340 (2) | 0.74507 (17) | 0.13673 (17) | 0.0253 (4) | |
H22 | 0.3819 | 0.6697 | 0.1714 | 0.030* | |
O1 | 0.68046 (15) | 1.08915 (12) | 0.33319 (12) | 0.0270 (3) | |
O2 | 0.45853 (14) | 0.87559 (11) | 0.23207 (11) | 0.0235 (3) |