| x | y | z | Uiso*/Ueq | ||
| O1 | 0.04216 (9) | 0.85849 (19) | 0.42308 (8) | 0.0409 (4) | |
| H1 | 0.0189 | 0.9643 | 0.4358 | 0.061* | |
| O2 | 0.03999 (9) | 0.8162 (2) | 0.54297 (8) | 0.0357 (4) | |
| O3 | 0.10701 (9) | 0.5223 (2) | 0.60346 (7) | 0.0386 (4) | |
| H3 | 0.0830 | 0.6324 | 0.6010 | 0.058* | |
| C1 | 0.09835 (11) | 0.5574 (3) | 0.47072 (11) | 0.0262 (4) | |
| C2 | 0.12250 (11) | 0.4550 (3) | 0.53481 (11) | 0.0297 (5) | |
| C3 | 0.16463 (12) | 0.2740 (3) | 0.53193 (11) | 0.0325 (5) | |
| C4 | 0.18243 (12) | 0.1994 (3) | 0.46369 (12) | 0.0369 (5) | |
| H4 | 0.2128 | 0.0799 | 0.4601 | 0.044* | |
| C5 | 0.15747 (12) | 0.2931 (3) | 0.40016 (12) | 0.0364 (5) | |
| H5 | 0.1703 | 0.2341 | 0.3543 | 0.044* | |
| C6 | 0.11437 (11) | 0.4699 (3) | 0.40105 (11) | 0.0286 (5) | |
| C7 | 0.18707 (14) | 0.1685 (3) | 0.60150 (13) | 0.0463 (6) | |
| H71 | 0.2190 | 0.0499 | 0.5898 | 0.069* | |
| H72 | 0.1390 | 0.1269 | 0.6275 | 0.069* | |
| H73 | 0.2178 | 0.2595 | 0.6326 | 0.069* | |
| C8 | 0.08638 (12) | 0.5538 (3) | 0.32753 (12) | 0.0345 (5) | |
| H8 | 0.0399 | 0.6429 | 0.3373 | 0.041* | |
| C9 | 0.05933 (15) | 0.3885 (4) | 0.27477 (14) | 0.0525 (7) | |
| H91 | 0.1053 | 0.3094 | 0.2592 | 0.079* | |
| H92 | 0.0342 | 0.4494 | 0.2318 | 0.079* | |
| H93 | 0.0212 | 0.3009 | 0.2996 | 0.079* | |
| C10 | 0.15119 (15) | 0.6819 (4) | 0.29282 (14) | 0.0563 (7) | |
| H101 | 0.1669 | 0.7880 | 0.3271 | 0.084* | |
| H102 | 0.1312 | 0.7426 | 0.2475 | 0.084* | |
| H103 | 0.1971 | 0.5975 | 0.2816 | 0.084* | |
| C11 | 0.05805 (11) | 0.7512 (3) | 0.48107 (11) | 0.0282 (5) |