| x | y | z | Uiso*/Ueq | ||
| C1 | −0.1919 (3) | 0.94140 (17) | −0.21175 (14) | 0.0561 (4) | |
| H1 | −0.2852 | 0.9490 | −0.1588 | 0.067* | |
| C2 | −0.2151 (3) | 1.01001 (18) | −0.27760 (15) | 0.0624 (5) | |
| H2 | −0.3229 | 1.0636 | −0.2686 | 0.075* | |
| C3 | −0.0791 (3) | 0.99904 (18) | −0.35624 (13) | 0.0628 (5) | |
| H3 | −0.0943 | 1.0449 | −0.4008 | 0.075* | |
| C4 | 0.0791 (4) | 0.9200 (2) | −0.36863 (14) | 0.0707 (5) | |
| H4 | 0.1716 | 0.9124 | −0.4219 | 0.085* | |
| C5 | 0.1021 (3) | 0.85205 (18) | −0.30303 (14) | 0.0625 (5) | |
| H5 | 0.2100 | 0.7986 | −0.3124 | 0.075* | |
| C6 | −0.0332 (3) | 0.86224 (15) | −0.22321 (12) | 0.0470 (4) | |
| C7 | −0.0042 (3) | 0.78860 (17) | −0.15223 (14) | 0.0543 (4) | |
| H7A | −0.1266 | 0.7946 | −0.1088 | 0.065* | |
| H7B | −0.0133 | 0.6975 | −0.1976 | 0.065* | |
| C8 | 0.2985 (3) | 0.78337 (14) | −0.01798 (12) | 0.0437 (4) | |
| C9 | 0.1650 (3) | 0.67956 (17) | −0.00705 (15) | 0.0572 (5) | |
| H9 | 0.0099 | 0.6479 | −0.0432 | 0.069* | |
| C10 | 0.2624 (3) | 0.62314 (17) | 0.05756 (14) | 0.0566 (5) | |
| H10 | 0.1708 | 0.5530 | 0.0641 | 0.068* | |
| C11 | 0.4923 (3) | 0.66708 (14) | 0.11326 (12) | 0.0430 (4) | |
| C12 | 0.6215 (3) | 0.77425 (15) | 0.10371 (12) | 0.0487 (4) | |
| H12 | 0.7755 | 0.8073 | 0.1413 | 0.058* | |
| C13 | 0.5265 (3) | 0.83230 (15) | 0.04000 (13) | 0.0493 (4) | |
| H13 | 0.6155 | 0.9047 | 0.0357 | 0.059* | |
| C14 | 0.5877 (3) | 0.60034 (15) | 0.17882 (12) | 0.0459 (4) | |
| C15 | 0.8145 (3) | 0.63971 (16) | 0.23933 (13) | 0.0493 (4) | |
| H15 | 0.9149 | 0.7099 | 0.2370 | 0.059* | |
| C16 | 0.8939 (3) | 0.57587 (17) | 0.30329 (13) | 0.0523 (4) | |
| C17 | 1.1263 (3) | 0.62181 (18) | 0.37217 (13) | 0.0561 (4) | |
| C18 | 1.2389 (4) | 0.5838 (2) | 0.44496 (16) | 0.0779 (6) | |
| H18 | 1.1821 | 0.5149 | 0.4632 | 0.094* | |
| C19 | 1.4595 (4) | 0.6689 (3) | 0.48793 (17) | 0.0878 (7) | |
| H19 | 1.5767 | 0.6671 | 0.5402 | 0.105* | |
| C20 | 1.4681 (4) | 0.7517 (2) | 0.43989 (17) | 0.0821 (7) | |
| H20 | 1.5957 | 0.8185 | 0.4537 | 0.099* | |
| O1 | 0.22079 (19) | 0.84506 (10) | −0.08083 (9) | 0.0549 (3) | |
| O2 | 0.4480 (2) | 0.49997 (11) | 0.17879 (10) | 0.0593 (3) | |
| O3 | 0.7661 (2) | 0.47547 (13) | 0.30691 (11) | 0.0682 (4) | |
| O4 | 1.2673 (2) | 0.72692 (13) | 0.36792 (9) | 0.0661 (4) | |
| H2A | 0.573 (4) | 0.473 (2) | 0.2360 (18) | 0.099* |