| x | y | z | Uiso*/Ueq | ||
| C1 | 0.7846 (3) | 0.1172 (2) | 0.0063 (2) | 0.0552 (5) | |
| H1 | 0.8299 | 0.0663 | −0.0570 | 0.066* | |
| C2 | 0.7434 (3) | 0.2613 (3) | −0.0345 (3) | 0.0608 (6) | |
| C3 | 0.6748 (3) | 0.3344 (3) | 0.0625 (3) | 0.0672 (6) | |
| H3 | 0.6448 | 0.4315 | 0.0362 | 0.081* | |
| C4 | 0.6505 (3) | 0.2675 (3) | 0.1948 (3) | 0.0658 (6) | |
| H4 | 0.6046 | 0.3187 | 0.2574 | 0.079* | |
| C5 | 0.7034 (3) | −0.1210 (3) | 0.5685 (3) | 0.0623 (6) | |
| H5 | 0.6586 | −0.0609 | 0.6249 | 0.075* | |
| C6 | 0.7523 (3) | −0.2566 (3) | 0.6273 (3) | 0.0705 (7) | |
| H6 | 0.7410 | −0.2886 | 0.7248 | 0.085* | |
| C7 | 0.8186 (3) | −0.3476 (3) | 0.5441 (3) | 0.0707 (7) | |
| H7 | 0.8514 | −0.4401 | 0.5855 | 0.085* | |
| C8 | 0.8355 (3) | −0.3005 (3) | 0.4002 (3) | 0.0601 (6) | |
| H8 | 0.8802 | −0.3616 | 0.3445 | 0.072* | |
| C9 | 0.8034 (3) | −0.1098 (2) | 0.1823 (2) | 0.0487 (5) | |
| O9 | 0.8493 (2) | −0.19003 (18) | 0.09566 (19) | 0.0720 (5) | |
| O10 | 0.67103 (19) | 0.06452 (17) | 0.37199 (17) | 0.0590 (4) | |
| C11 | 0.6948 (3) | 0.1230 (2) | 0.2347 (2) | 0.0499 (5) | |
| C12 | 0.7212 (3) | −0.0736 (2) | 0.4230 (2) | 0.0494 (5) | |
| C13 | 0.7864 (3) | −0.1617 (2) | 0.3361 (2) | 0.0468 (5) | |
| C14 | 0.7604 (3) | 0.0446 (2) | 0.1403 (2) | 0.0466 (5) | |
| C15 | 0.7710 (4) | 0.3410 (3) | −0.1775 (3) | 0.0837 (8) | |
| H153 | 0.8406 | 0.4550 | −0.1321 | 0.126* | |
| H152 | 0.6498 | 0.3312 | −0.2760 | 0.126* | |
| H151 | 0.8401 | 0.2873 | −0.2153 | 0.126* |