| x | y | z | Uiso*/Ueq | ||
| O1 | 0.13189 (7) | 0.07160 (14) | 0.5143 (2) | 0.0217 (3) | |
| O2 | 0.21514 (6) | 0.36656 (13) | 1.0967 (2) | 0.0158 (2) | |
| O3 | 0.27231 (6) | 0.16183 (13) | 0.7536 (2) | 0.0153 (2) | |
| O4 | 0.06202 (6) | 0.15803 (14) | 1.0224 (2) | 0.0165 (3) | |
| C1 | 0.14680 (8) | 0.17868 (17) | 0.6278 (3) | 0.0130 (3) | |
| C2 | 0.12208 (8) | 0.33840 (16) | 0.6024 (3) | 0.0121 (3) | |
| C3 | 0.07836 (8) | 0.40053 (18) | 0.4425 (3) | 0.0145 (3) | |
| H3A | 0.0609 | 0.3415 | 0.3301 | 0.017* | |
| C4 | 0.06148 (8) | 0.55486 (19) | 0.4566 (3) | 0.0161 (3) | |
| H4A | 0.0314 | 0.5991 | 0.3535 | 0.019* | |
| C5 | 0.08914 (9) | 0.64417 (18) | 0.6239 (3) | 0.0163 (3) | |
| H5A | 0.0784 | 0.7473 | 0.6273 | 0.020* | |
| C6 | 0.13236 (8) | 0.58104 (17) | 0.7850 (3) | 0.0144 (3) | |
| H6A | 0.1502 | 0.6401 | 0.8967 | 0.017* | |
| C7 | 0.14801 (8) | 0.42619 (16) | 0.7731 (3) | 0.0115 (3) | |
| C8 | 0.18969 (8) | 0.32969 (16) | 0.9244 (3) | 0.0115 (3) | |
| C9 | 0.19764 (8) | 0.17061 (16) | 0.8252 (3) | 0.0107 (3) | |
| C10 | 0.17882 (8) | 0.04091 (17) | 0.9758 (3) | 0.0125 (3) | |
| H10A | 0.1889 | −0.0547 | 0.9049 | 0.015* | |
| H10B | 0.2103 | 0.0470 | 1.1008 | 0.015* | |
| C11 | 0.09891 (8) | 0.04343 (17) | 1.0464 (3) | 0.0121 (3) | |
| C12 | 0.06798 (9) | −0.10028 (18) | 1.1373 (3) | 0.0173 (3) | |
| H12A | 0.0295 | −0.0763 | 1.2371 | 0.026* | |
| H12B | 0.1064 | −0.1552 | 1.2092 | 0.026* | |
| H12C | 0.0482 | −0.1614 | 1.0240 | 0.026* | |
| H1O3 | 0.2777 (12) | 0.069 (3) | 0.713 (5) | 0.029 (7)* |