x | y | z | Uiso*/Ueq | ||
O1 | 0.79130 (8) | 0.56932 (5) | 0.29079 (6) | 0.03386 (17) | |
O2 | 0.15346 (8) | 0.39853 (5) | 0.36012 (6) | 0.03159 (16) | |
O3 | 0.34027 (8) | 0.35057 (5) | 0.26450 (5) | 0.02547 (14) | |
N1 | 0.63622 (8) | 0.63640 (5) | 0.39987 (5) | 0.01811 (12) | |
C1 | 0.49088 (9) | 0.64053 (5) | 0.44357 (5) | 0.01656 (13) | |
C2 | 0.46483 (10) | 0.71713 (6) | 0.50694 (6) | 0.02098 (14) | |
H2 | 0.544815 | 0.766658 | 0.518906 | 0.025* | |
C3 | 0.32280 (11) | 0.72050 (6) | 0.55192 (6) | 0.02469 (16) | |
H3 | 0.306866 | 0.771800 | 0.595567 | 0.030* | |
C4 | 0.20287 (10) | 0.64925 (7) | 0.53375 (6) | 0.02508 (16) | |
H4 | 0.106080 | 0.651845 | 0.565229 | 0.030* | |
C5 | 0.22538 (10) | 0.57466 (6) | 0.46961 (6) | 0.02108 (14) | |
H5 | 0.142234 | 0.527154 | 0.456509 | 0.025* | |
C6 | 0.36952 (9) | 0.56798 (5) | 0.42340 (5) | 0.01629 (13) | |
C7 | 0.40167 (8) | 0.49162 (5) | 0.35579 (5) | 0.01659 (13) | |
C8 | 0.54184 (9) | 0.49270 (6) | 0.31341 (6) | 0.02043 (14) | |
H8 | 0.560136 | 0.442273 | 0.269253 | 0.025* | |
C9 | 0.66584 (10) | 0.56733 (6) | 0.33219 (6) | 0.02148 (15) | |
C10 | 0.76472 (10) | 0.71018 (6) | 0.42091 (6) | 0.02241 (15) | |
H10A | 0.775440 | 0.725750 | 0.490720 | 0.027* | |
H10B | 0.870536 | 0.683646 | 0.405222 | 0.027* | |
C11 | 0.72727 (11) | 0.79935 (6) | 0.36498 (7) | 0.02598 (17) | |
C12 | 0.69298 (13) | 0.87027 (8) | 0.31880 (9) | 0.0356 (2) | |
H12 | 0.665529 | 0.927061 | 0.281827 | 0.043* | |
C13 | 0.28317 (9) | 0.41024 (5) | 0.32886 (6) | 0.01886 (14) | |
C14 | 0.23208 (11) | 0.27253 (7) | 0.22635 (6) | 0.02652 (17) | |
H14A | 0.266692 | 0.250123 | 0.164117 | 0.032* | |
H14B | 0.119369 | 0.298095 | 0.213628 | 0.032* | |
C15 | 0.23223 (10) | 0.18782 (6) | 0.29404 (6) | 0.02316 (15) | |
C16 | 0.36596 (12) | 0.12502 (8) | 0.30625 (7) | 0.0318 (2) | |
H16 | 0.457268 | 0.135594 | 0.271197 | 0.038* | |
C17 | 0.36579 (17) | 0.04679 (9) | 0.36979 (9) | 0.0430 (3) | |
H17 | 0.457907 | 0.004905 | 0.378888 | 0.052* | |
C18 | 0.2320 (2) | 0.02998 (9) | 0.41959 (9) | 0.0502 (3) | |
H18 | 0.232480 | −0.023368 | 0.462895 | 0.060* | |
C19 | 0.09713 (18) | 0.09064 (9) | 0.40660 (9) | 0.0442 (3) | |
H19 | 0.004674 | 0.078535 | 0.440243 | 0.053* | |
C20 | 0.09774 (12) | 0.16940 (7) | 0.34402 (7) | 0.02989 (19) | |
H20 | 0.005332 | 0.211073 | 0.335298 | 0.036* |