x | y | z | Uiso*/Ueq | ||
O1 | 0.78175 (8) | 0.89233 (13) | 0.62825 (14) | 0.0252 (3) | |
H1 | 0.7466 (13) | 0.885 (3) | 0.567 (2) | 0.086 (12)* | |
O2 | 0.42198 (8) | 0.93692 (14) | 0.03223 (14) | 0.0291 (4) | |
O3 | 0.43875 (7) | 0.73467 (13) | −0.01081 (13) | 0.0237 (3) | |
N1 | 0.67954 (9) | 0.79668 (16) | 0.46645 (16) | 0.0222 (4) | |
C1 | 0.78970 (11) | 0.77878 (18) | 0.68363 (19) | 0.0203 (4) | |
C2 | 0.84179 (10) | 0.76051 (18) | 0.78972 (18) | 0.0186 (4) | |
C3 | 0.85050 (10) | 0.63866 (18) | 0.83515 (18) | 0.0180 (4) | |
H3 | 0.8862 | 0.6243 | 0.9054 | 0.022* | |
C4 | 0.80999 (10) | 0.53616 (18) | 0.78384 (18) | 0.0183 (4) | |
C5 | 0.75592 (10) | 0.56031 (19) | 0.68469 (18) | 0.0199 (4) | |
H5 | 0.7253 | 0.4941 | 0.6509 | 0.024* | |
C6 | 0.74560 (10) | 0.67938 (19) | 0.63368 (18) | 0.0201 (4) | |
C7 | 0.94204 (12) | 0.9088 (2) | 0.7566 (2) | 0.0290 (5) | |
H7A | 0.9137 | 0.9359 | 0.6780 | 0.044* | |
H7B | 0.9735 | 0.8388 | 0.7402 | 0.044* | |
H7C | 0.9722 | 0.9782 | 0.7930 | 0.044* | |
C8 | 0.88965 (11) | 0.86740 (19) | 0.84883 (19) | 0.0219 (4) | |
C9 | 0.84263 (13) | 0.9784 (2) | 0.8811 (2) | 0.0295 (5) | |
H9A | 0.8124 | 1.0072 | 0.8051 | 0.044* | |
H9B | 0.8744 | 1.0464 | 0.9158 | 0.044* | |
H9C | 0.8112 | 0.9521 | 0.9428 | 0.044* | |
C10 | 0.93590 (13) | 0.8274 (2) | 0.9709 (2) | 0.0304 (5) | |
H10A | 0.9670 | 0.7569 | 0.9542 | 0.046* | |
H10B | 0.9037 | 0.8024 | 1.0320 | 0.046* | |
H10C | 0.9665 | 0.8974 | 1.0044 | 0.046* | |
C11 | 0.82432 (11) | 0.40232 (18) | 0.82969 (18) | 0.0197 (4) | |
C12 | 0.75683 (11) | 0.3511 (2) | 0.8825 (2) | 0.0254 (5) | |
H12A | 0.7465 | 0.4030 | 0.9529 | 0.038* | |
H12B | 0.7662 | 0.2652 | 0.9111 | 0.038* | |
H12C | 0.7148 | 0.3526 | 0.8169 | 0.038* | |
C13 | 0.84080 (12) | 0.3212 (2) | 0.7192 (2) | 0.0259 (5) | |
H13A | 0.8838 | 0.3540 | 0.6858 | 0.039* | |
H13B | 0.7988 | 0.3225 | 0.6535 | 0.039* | |
H13C | 0.8502 | 0.2352 | 0.7479 | 0.039* | |
C14 | 0.88904 (11) | 0.3930 (2) | 0.9334 (2) | 0.0247 (5) | |
H14A | 0.9330 | 0.4251 | 0.9025 | 0.037* | |
H14B | 0.8966 | 0.3056 | 0.9583 | 0.037* | |
H14C | 0.8789 | 0.4423 | 1.0057 | 0.037* | |
C15 | 0.68922 (11) | 0.69415 (19) | 0.52586 (19) | 0.0219 (4) | |
H15 | 0.6589 | 0.6250 | 0.4995 | 0.026* | |
C16 | 0.62487 (10) | 0.8028 (2) | 0.36008 (19) | 0.0213 (4) | |
C17 | 0.59190 (11) | 0.9167 (2) | 0.3314 (2) | 0.0235 (5) | |
H17 | 0.6062 | 0.9876 | 0.3815 | 0.028* | |
C18 | 0.53831 (11) | 0.9279 (2) | 0.23032 (19) | 0.0228 (5) | |
H18 | 0.5157 | 1.0064 | 0.2116 | 0.027* | |
C19 | 0.51707 (10) | 0.82475 (19) | 0.15535 (19) | 0.0202 (4) | |
C20 | 0.55214 (11) | 0.7112 (2) | 0.18075 (19) | 0.0214 (4) | |
H20 | 0.5391 | 0.6411 | 0.1286 | 0.026* | |
C21 | 0.60615 (11) | 0.7002 (2) | 0.28224 (19) | 0.0234 (5) | |
H21 | 0.6305 | 0.6228 | 0.2990 | 0.028* | |
C22 | 0.45526 (11) | 0.84073 (19) | 0.05346 (19) | 0.0209 (4) | |
C23 | 0.37799 (11) | 0.7442 (2) | −0.1100 (2) | 0.0265 (5) | |
H23A | 0.3908 | 0.8002 | −0.1768 | 0.032* | |
H23B | 0.3347 | 0.7788 | −0.0767 | 0.032* | |
C24 | 0.36159 (12) | 0.6163 (2) | −0.1613 (2) | 0.0281 (5) | |
H24A | 0.3206 | 0.6204 | −0.2286 | 0.042* | |
H24B | 0.3488 | 0.5616 | −0.0945 | 0.042* | |
H24C | 0.4046 | 0.5830 | −0.1944 | 0.042* |