| x | y | z | Uiso*/Ueq | ||
| S1 | 0.17563 (4) | 0.58042 (10) | 0.28834 (3) | 0.04103 (18) | |
| F1 | 0.55934 (10) | −0.3181 (3) | 0.63856 (9) | 0.0799 (5) | |
| O1 | 0.06789 (11) | 0.7798 (3) | 0.47995 (8) | 0.0601 (5) | |
| O2 | 0.19330 (12) | 0.3052 (3) | 0.28237 (8) | 0.0577 (5) | |
| C1 | 0.14479 (13) | 0.6338 (4) | 0.38282 (10) | 0.0361 (4) | |
| C2 | 0.18189 (13) | 0.5179 (4) | 0.45385 (10) | 0.0348 (4) | |
| C3 | 0.25025 (13) | 0.3517 (3) | 0.47389 (10) | 0.0324 (4) | |
| H3 | 0.2843 | 0.2794 | 0.4353 | 0.039* | |
| C4 | 0.26806 (13) | 0.2925 (4) | 0.55191 (10) | 0.0348 (4) | |
| C5 | 0.21503 (16) | 0.3959 (4) | 0.60763 (11) | 0.0509 (6) | |
| H5 | 0.2269 | 0.3515 | 0.6604 | 0.061* | |
| C6 | 0.14668 (18) | 0.5585 (5) | 0.58852 (12) | 0.0615 (7) | |
| H6 | 0.1112 | 0.6273 | 0.6267 | 0.074* | |
| C7 | 0.13179 (15) | 0.6176 (4) | 0.51116 (12) | 0.0490 (6) | |
| C8 | 0.07767 (15) | 0.7839 (4) | 0.40150 (11) | 0.0472 (5) | |
| C9 | 0.34346 (13) | 0.1263 (4) | 0.57592 (10) | 0.0337 (4) | |
| C10 | 0.36519 (15) | −0.0773 (4) | 0.53163 (13) | 0.0471 (5) | |
| H10 | 0.3298 | −0.1145 | 0.4858 | 0.056* | |
| C11 | 0.43708 (18) | −0.2285 (5) | 0.55224 (15) | 0.0636 (7) | |
| H11 | 0.4510 | −0.3696 | 0.5216 | 0.076* | |
| C12 | 0.48785 (15) | −0.1697 (5) | 0.61814 (13) | 0.0506 (6) | |
| C13 | 0.46903 (15) | 0.0255 (5) | 0.66434 (13) | 0.0518 (6) | |
| H13 | 0.5048 | 0.0598 | 0.7102 | 0.062* | |
| C14 | 0.39641 (16) | 0.1737 (4) | 0.64317 (12) | 0.0499 (6) | |
| H14 | 0.3822 | 0.3112 | 0.6752 | 0.060* | |
| C15 | 0.01636 (16) | 0.9524 (5) | 0.35532 (14) | 0.0584 (7) | |
| H15A | 0.0304 | 1.1280 | 0.3682 | 0.088* | |
| H15B | −0.0449 | 0.9162 | 0.3672 | 0.088* | |
| H15C | 0.0231 | 0.9241 | 0.3001 | 0.088* | |
| C16 | 0.28109 (15) | 0.7332 (4) | 0.29579 (13) | 0.0502 (5) | |
| H16A | 0.3181 | 0.6581 | 0.3382 | 0.075* | |
| H16B | 0.2729 | 0.9127 | 0.3061 | 0.075* | |
| H16C | 0.3102 | 0.7128 | 0.2472 | 0.075* |