| x | y | z | Uiso*/Ueq | ||
| C1 | 1.00036 (17) | 0.53181 (18) | 0.14389 (6) | 0.0275 (3) | |
| H1 | 1.062 | 0.5387 | 0.1773 | 0.033* | |
| C2 | 1.01106 (17) | 0.67689 (19) | 0.10804 (6) | 0.0274 (3) | |
| C3 | 0.91825 (18) | 0.66693 (19) | 0.05767 (6) | 0.0287 (3) | |
| C4 | 0.81764 (18) | 0.51175 (19) | 0.04488 (5) | 0.0289 (3) | |
| H4 | 0.7562 | 0.5042 | 0.0115 | 0.035* | |
| C5 | 0.80647 (17) | 0.36535 (18) | 0.08134 (5) | 0.0259 (3) | |
| C6 | 0.69108 (19) | 0.20757 (19) | 0.06595 (5) | 0.0291 (3) | |
| C7 | 0.67888 (17) | 0.05220 (18) | 0.10459 (5) | 0.0255 (3) | |
| C8 | 0.57670 (18) | −0.09998 (19) | 0.09083 (5) | 0.0282 (3) | |
| H8 | 0.5149 | −0.103 | 0.0574 | 0.034* | |
| C9 | 0.56328 (18) | −0.25179 (18) | 0.12612 (6) | 0.0268 (3) | |
| C10 | 0.46090 (19) | −0.4123 (2) | 0.11233 (6) | 0.0341 (3) | |
| H10 | 0.4002 | −0.4192 | 0.0788 | 0.041* | |
| C11 | 0.4501 (2) | −0.5567 (2) | 0.14754 (7) | 0.0384 (4) | |
| H11 | 0.3814 | −0.6619 | 0.1381 | 0.046* | |
| C12 | 0.5408 (2) | −0.5489 (2) | 0.19769 (6) | 0.0386 (4) | |
| H12 | 0.5326 | −0.6492 | 0.2215 | 0.046* | |
| C13 | 0.6411 (2) | −0.3969 (2) | 0.21228 (6) | 0.0344 (4) | |
| H13 | 0.7013 | −0.3936 | 0.2459 | 0.041* | |
| C14 | 0.65452 (17) | −0.24356 (18) | 0.17669 (6) | 0.0273 (3) | |
| C15 | 0.75879 (18) | −0.08529 (19) | 0.19038 (5) | 0.0280 (3) | |
| H15 | 0.8193 | −0.0794 | 0.224 | 0.034* | |
| C16 | 0.77246 (16) | 0.05988 (18) | 0.15515 (5) | 0.0241 (3) | |
| C17 | 0.88638 (17) | 0.22181 (18) | 0.16997 (5) | 0.0260 (3) | |
| C18 | 0.89773 (17) | 0.37413 (18) | 0.13063 (5) | 0.0247 (3) | |
| C19 | 1.1882 (2) | 0.8638 (2) | 0.16855 (6) | 0.0360 (4) | |
| H19A | 1.1096 | 0.8696 | 0.1932 | 0.054* | |
| H19B | 1.2491 | 0.9828 | 0.1699 | 0.054* | |
| H19C | 1.2624 | 0.7579 | 0.1777 | 0.054* | |
| C20 | 0.8334 (2) | 0.8166 (2) | −0.02447 (6) | 0.0398 (4) | |
| H20A | 0.8583 | 0.7051 | −0.0444 | 0.06* | |
| H20B | 0.8538 | 0.932 | −0.0435 | 0.06* | |
| H20C | 0.7199 | 0.8127 | −0.0192 | 0.06* | |
| O1 | 1.10487 (14) | 0.83614 (14) | 0.11692 (4) | 0.0362 (3) | |
| O2 | 0.93439 (14) | 0.81632 (14) | 0.02532 (4) | 0.0378 (3) | |
| O3 | 0.60656 (17) | 0.20730 (16) | 0.02332 (4) | 0.0491 (4) | |
| O4 | 0.96858 (15) | 0.22784 (14) | 0.21323 (4) | 0.0401 (3) |