| x | y | z | Uiso*/Ueq | ||
| F1 | 0.88989 (8) | 1.11551 (11) | 0.39053 (4) | 0.0625 (3) | |
| O1 | 0.83508 (8) | 0.41722 (11) | 0.56528 (4) | 0.0452 (2) | |
| O2 | 0.56864 (7) | 0.61906 (13) | 0.58208 (4) | 0.0467 (3) | |
| O3 | 1.18714 (7) | 0.58367 (13) | 0.78977 (5) | 0.0485 (3) | |
| C1 | 0.76748 (10) | 0.61523 (14) | 0.64820 (6) | 0.0316 (3) | |
| C2 | 0.64274 (10) | 0.63620 (15) | 0.64810 (6) | 0.0366 (3) | |
| C3 | 0.59851 (10) | 0.67163 (16) | 0.71271 (6) | 0.0407 (3) | |
| H3 | 0.5124 | 0.6863 | 0.7123 | 0.049* | |
| C4 | 0.68059 (11) | 0.68475 (15) | 0.77614 (6) | 0.0391 (3) | |
| H4 | 0.6504 | 0.7093 | 0.8196 | 0.047* | |
| C5 | 0.80873 (10) | 0.66282 (14) | 0.77862 (6) | 0.0345 (3) | |
| C6 | 0.89515 (11) | 0.67527 (16) | 0.84395 (6) | 0.0403 (3) | |
| H6 | 0.8663 | 0.7023 | 0.8876 | 0.048* | |
| C7 | 1.01804 (11) | 0.64943 (17) | 0.84565 (6) | 0.0426 (3) | |
| H7 | 1.0742 | 0.6570 | 0.8901 | 0.051* | |
| C8 | 1.06219 (10) | 0.61110 (15) | 0.78062 (6) | 0.0374 (3) | |
| C9 | 0.98303 (10) | 0.60226 (14) | 0.71590 (6) | 0.0332 (3) | |
| H9 | 1.0143 | 0.5797 | 0.6726 | 0.040* | |
| C10 | 0.85384 (10) | 0.62683 (13) | 0.71348 (5) | 0.0312 (3) | |
| C11 | 0.81034 (9) | 0.57083 (14) | 0.57830 (5) | 0.0317 (3) | |
| C12 | 0.82601 (9) | 0.71631 (14) | 0.52758 (5) | 0.0315 (3) | |
| C13 | 0.79565 (10) | 0.89121 (15) | 0.54125 (6) | 0.0391 (3) | |
| H13 | 0.7610 | 0.9179 | 0.5830 | 0.047* | |
| C14 | 0.81544 (11) | 1.02663 (16) | 0.49468 (7) | 0.0450 (3) | |
| H14 | 0.7940 | 1.1461 | 0.5034 | 0.054* | |
| C15 | 0.86713 (11) | 0.98285 (17) | 0.43532 (6) | 0.0435 (3) | |
| C16 | 0.89914 (10) | 0.81228 (17) | 0.42000 (6) | 0.0425 (3) | |
| H16 | 0.9352 | 0.7874 | 0.3786 | 0.051* | |
| C17 | 0.87757 (10) | 0.67828 (16) | 0.46618 (6) | 0.0367 (3) | |
| H17 | 0.8979 | 0.5590 | 0.4563 | 0.044* | |
| C18 | 0.43866 (11) | 0.6376 (2) | 0.57767 (8) | 0.0608 (4) | |
| H18A | 0.3977 | 0.6210 | 0.5275 | 0.073* | |
| H18B | 0.4200 | 0.7567 | 0.5941 | 0.073* | |
| H18C | 0.4087 | 0.5480 | 0.6084 | 0.073* | |
| C19 | 1.23927 (11) | 0.5406 (2) | 0.72769 (7) | 0.0501 (3) | |
| H19A | 1.3281 | 0.5187 | 0.7421 | 0.060* | |
| H19B | 1.2264 | 0.6399 | 0.6934 | 0.060* | |
| H19C | 1.1992 | 0.4336 | 0.7048 | 0.060* |