| x | y | z | Uiso*/Ueq | ||
| O1 | 0.3871 (2) | −0.2647 (5) | 0.54229 (13) | 0.0663 (10) | |
| O2 | 0.28611 (18) | −0.5049 (4) | 0.48553 (11) | 0.0489 (7) | |
| O3 | 0.2107 (2) | −0.2869 (4) | 0.54593 (11) | 0.0503 (7) | |
| O4 | 0.62164 (19) | 0.3112 (4) | 0.70717 (12) | 0.0558 (8) | |
| O5 | 0.72570 (17) | 0.5487 (4) | 0.76245 (10) | 0.0448 (7) | |
| O6 | 0.80169 (19) | 0.2813 (4) | 0.71320 (11) | 0.0460 (7) | |
| C1 | 0.4089 (3) | −0.0972 (7) | 0.59017 (18) | 0.0585 (12) | |
| H1A | 0.3386 | −0.0373 | 0.5968 | 0.070* | |
| C2 | 0.4714 (4) | 0.0915 (7) | 0.57122 (18) | 0.0634 (13) | |
| H2A | 0.4502 | 0.1443 | 0.5314 | 0.076* | |
| C3 | 0.5543 (4) | 0.1881 (6) | 0.60687 (19) | 0.0620 (12) | |
| H3A | 0.5873 | 0.3142 | 0.5924 | 0.074* | |
| C4 | 0.5991 (3) | 0.1123 (6) | 0.66812 (17) | 0.0494 (11) | |
| H4A | 0.6678 | 0.0259 | 0.6699 | 0.059* | |
| C5 | 0.5203 (3) | −0.0339 (7) | 0.69112 (17) | 0.0589 (12) | |
| H5A | 0.5584 | −0.1110 | 0.7280 | 0.071* | |
| H5B | 0.4624 | 0.0625 | 0.7007 | 0.071* | |
| C6 | 0.4707 (4) | −0.2079 (7) | 0.64578 (17) | 0.0627 (12) | |
| H6A | 0.5287 | −0.3047 | 0.6365 | 0.075* | |
| H6B | 0.4213 | −0.3065 | 0.6622 | 0.075* | |
| C7 | 0.2865 (3) | −0.3486 (6) | 0.52697 (16) | 0.0449 (10) | |
| C8 | 0.1825 (3) | −0.6087 (6) | 0.45306 (15) | 0.0405 (9) | |
| C9 | 0.1263 (3) | −0.7330 (6) | 0.49534 (16) | 0.0555 (12) | |
| H9A | 0.1044 | −0.6234 | 0.5223 | 0.083* | |
| H9B | 0.1764 | −0.8441 | 0.5185 | 0.083* | |
| H9C | 0.0620 | −0.8117 | 0.4725 | 0.083* | |
| C10 | 0.1114 (3) | −0.4266 (6) | 0.41818 (16) | 0.0475 (10) | |
| H10A | 0.0908 | −0.3174 | 0.4457 | 0.071* | |
| H10B | 0.0459 | −0.4964 | 0.3938 | 0.071* | |
| H10C | 0.1513 | −0.3480 | 0.3924 | 0.071* | |
| C11 | 0.2218 (3) | −0.7736 (6) | 0.41206 (17) | 0.0551 (12) | |
| H11A | 0.2735 | −0.8804 | 0.4357 | 0.083* | |
| H11B | 0.2575 | −0.6891 | 0.3853 | 0.083* | |
| H11C | 0.1598 | −0.8577 | 0.3886 | 0.083* | |
| C12 | 0.7258 (3) | 0.3718 (6) | 0.72638 (15) | 0.0387 (9) | |
| C13 | 0.8304 (3) | 0.6424 (6) | 0.79714 (15) | 0.0389 (9) | |
| C14 | 0.8905 (3) | 0.4608 (6) | 0.83795 (16) | 0.0506 (11) | |
| H14A | 0.9138 | 0.3407 | 0.8142 | 0.076* | |
| H14B | 0.8425 | 0.3961 | 0.8614 | 0.076* | |
| H14C | 0.9543 | 0.5278 | 0.8646 | 0.076* | |
| C15 | 0.8964 (3) | 0.7397 (6) | 0.75658 (16) | 0.0441 (10) | |
| H15A | 0.8539 | 0.8562 | 0.7312 | 0.066* | |
| H15B | 0.9155 | 0.6184 | 0.7318 | 0.066* | |
| H15C | 0.9628 | 0.8081 | 0.7804 | 0.066* | |
| C16 | 0.7894 (3) | 0.8280 (6) | 0.83263 (16) | 0.0498 (10) | |
| H16A | 0.7443 | 0.9354 | 0.8053 | 0.075* | |
| H16B | 0.8513 | 0.9086 | 0.8572 | 0.075* | |
| H16C | 0.7461 | 0.7591 | 0.8582 | 0.075* |