| x | y | z | Uiso*/Ueq | ||
| O1 | 1.17184 (15) | 0.59200 (11) | 0.94630 (8) | 0.0262 (4) | |
| O2 | 0.93224 (17) | 0.89681 (11) | 0.91264 (8) | 0.0298 (4) | |
| O3 | 1.04268 (19) | 0.94639 (12) | 1.02536 (9) | 0.0370 (4) | |
| O4 | 1.21198 (18) | 0.84659 (12) | 0.84053 (9) | 0.0372 (4) | |
| O5 | 1.13746 (15) | 0.59345 (11) | 0.81269 (7) | 0.0230 (3) | |
| O6 | 1.36640 (18) | 0.16881 (11) | 0.72242 (9) | 0.0371 (4) | |
| C1 | 1.0087 (2) | 0.58644 (17) | 0.96426 (13) | 0.0278 (5) | |
| H1A | 0.9575 | 0.5302 | 0.9288 | 0.033* | |
| C2 | 0.9327 (3) | 0.70107 (17) | 0.95530 (12) | 0.0290 (5) | |
| H2A | 0.8318 | 0.7123 | 0.9763 | 0.035* | |
| C3 | 1.0009 (3) | 0.78794 (17) | 0.91900 (12) | 0.0257 (5) | |
| C4 | 1.1459 (2) | 0.77091 (16) | 0.87611 (12) | 0.0250 (5) | |
| C5 | 1.2071 (2) | 0.64760 (16) | 0.87719 (11) | 0.0236 (5) | |
| H5A | 1.3226 | 0.6488 | 0.8701 | 0.028* | |
| C6 | 0.9976 (3) | 0.5411 (2) | 1.04592 (14) | 0.0425 (6) | |
| H6A | 1.0486 | 0.4657 | 1.0491 | 0.064* | |
| H6B | 0.8878 | 0.5333 | 1.0604 | 0.064* | |
| H6C | 1.0491 | 0.5952 | 1.0810 | 0.064* | |
| C7 | 0.9639 (2) | 0.97192 (17) | 0.97094 (13) | 0.0251 (5) | |
| C8 | 0.8888 (2) | 1.08488 (16) | 0.95760 (12) | 0.0230 (5) | |
| C9 | 0.8571 (3) | 1.15548 (17) | 1.02010 (13) | 0.0304 (5) | |
| H9A | 0.8852 | 1.1316 | 1.0705 | 0.037* | |
| C10 | 0.7844 (3) | 1.26088 (18) | 1.00880 (15) | 0.0379 (6) | |
| H10A | 0.7621 | 1.3092 | 1.0515 | 0.045* | |
| C11 | 0.7445 (3) | 1.29565 (18) | 0.93534 (14) | 0.0384 (6) | |
| H11A | 0.6946 | 1.3679 | 0.9277 | 0.046* | |
| C12 | 0.7767 (3) | 1.22605 (17) | 0.87332 (14) | 0.0340 (6) | |
| H12A | 0.7498 | 1.2507 | 0.8230 | 0.041* | |
| C13 | 0.8478 (2) | 1.12062 (16) | 0.88406 (12) | 0.0278 (5) | |
| H13A | 0.8687 | 1.0724 | 0.8412 | 0.033* | |
| C14 | 1.1981 (2) | 0.48407 (16) | 0.79498 (10) | 0.0203 (5) | |
| C15 | 1.3486 (2) | 0.47295 (16) | 0.76804 (11) | 0.0242 (5) | |
| H15A | 1.4147 | 0.5385 | 0.7652 | 0.029* | |
| C16 | 1.4024 (2) | 0.36583 (16) | 0.74524 (12) | 0.0260 (5) | |
| H16A | 1.5060 | 0.3573 | 0.7271 | 0.031* | |
| C17 | 1.3043 (2) | 0.27089 (16) | 0.74899 (12) | 0.0247 (5) | |
| C18 | 1.1540 (3) | 0.28231 (17) | 0.77601 (12) | 0.0278 (5) | |
| H18A | 1.0869 | 0.2173 | 0.7784 | 0.033* | |
| C19 | 1.1018 (2) | 0.39045 (16) | 0.79972 (11) | 0.0260 (5) | |
| H19A | 0.9992 | 0.3991 | 0.8192 | 0.031* | |
| C20 | 1.2665 (3) | 0.07108 (16) | 0.72123 (15) | 0.0446 (7) | |
| H20A | 1.3233 | 0.0044 | 0.7010 | 0.067* | |
| H20B | 1.1765 | 0.0871 | 0.6883 | 0.067* | |
| H20C | 1.2307 | 0.0544 | 0.7735 | 0.067* |