x | y | z | Uiso*/Ueq | ||
O1 | 0.38939 (8) | 0.5564 (2) | 0.16723 (7) | 0.0419 (3) | |
C1 | 0.32068 (11) | 0.2528 (3) | 0.06446 (9) | 0.0333 (4) | |
H1 | 0.3726 | 0.2983 | 0.0413 | 0.040* | |
H1A | 0.3901 (15) | 0.588 (4) | 0.2194 (14) | 0.060 (6)* | |
O2 | 0.09864 (8) | 0.0870 (2) | 0.17140 (6) | 0.0348 (3) | |
H2 | 0.0574 (18) | −0.059 (5) | 0.1389 (14) | 0.079 (7)* | |
C2 | 0.31656 (11) | 0.3787 (3) | 0.13488 (9) | 0.0321 (4) | |
C3 | 0.24081 (11) | 0.3235 (3) | 0.16913 (9) | 0.0317 (4) | |
H3 | 0.2370 | 0.4140 | 0.2163 | 0.038* | |
O3 | 0.03156 (7) | −0.2603 (2) | 0.06590 (6) | 0.0345 (3) | |
C4 | 0.17037 (10) | 0.1334 (3) | 0.13338 (8) | 0.0286 (4) | |
O4 | 0.10317 (8) | −0.3497 (2) | −0.03022 (6) | 0.0378 (3) | |
H4 | 0.0556 (18) | −0.491 (6) | −0.0410 (14) | 0.080 (7)* | |
C5 | 0.17377 (10) | −0.0040 (3) | 0.06311 (8) | 0.0275 (3) | |
C6 | 0.25149 (10) | 0.0639 (3) | 0.02743 (8) | 0.0287 (4) | |
C7 | 0.25914 (11) | −0.0625 (3) | −0.04994 (9) | 0.0336 (4) | |
H7A | 0.1981 | −0.0241 | −0.0887 | 0.040* | |
H7B | 0.2648 | −0.2692 | −0.0435 | 0.040* | |
C8 | 0.34233 (11) | 0.0400 (3) | −0.08352 (9) | 0.0368 (4) | |
H8A | 0.3396 | 0.2476 | −0.0879 | 0.044* | |
H8B | 0.4042 | −0.0109 | −0.0474 | 0.044* | |
C9 | 0.33918 (12) | −0.0863 (3) | −0.16340 (9) | 0.0374 (4) | |
H9A | 0.3426 | −0.2939 | −0.1587 | 0.045* | |
H9B | 0.2768 | −0.0377 | −0.1992 | 0.045* | |
C10 | 0.42080 (13) | 0.0161 (4) | −0.19841 (10) | 0.0454 (5) | |
H10A | 0.4185 | 0.2240 | −0.2015 | 0.054* | |
H10B | 0.4831 | −0.0373 | −0.1632 | 0.054* | |
C11 | 0.41710 (14) | −0.1014 (4) | −0.27894 (11) | 0.0516 (5) | |
H11A | 0.4215 | −0.3071 | −0.2762 | 0.077* | |
H11B | 0.4713 | −0.0265 | −0.2982 | 0.077* | |
H11C | 0.3562 | −0.0466 | −0.3145 | 0.077* | |
C12 | 0.09866 (10) | −0.2112 (3) | 0.03296 (8) | 0.0283 (3) |