| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| O1 | 0.86917 (17) | 0.62115 (9) | 0.45112 (9) | 0.0271 (3) | |
| H1 | 0.9361 | 0.5411 | 0.4900 | 0.041* | 0.50 |
| O2 | 0.19642 (18) | 0.96431 (9) | 0.45314 (9) | 0.0290 (3) | |
| H2 | 0.0794 | 0.9797 | 0.4929 | 0.044* | 0.50 |
| C1 | 0.6812 (2) | 0.66673 (13) | 0.50012 (11) | 0.0197 (3) | |
| C2 | 0.6155 (3) | 0.57371 (13) | 0.60766 (12) | 0.0233 (3) | |
| H2A | 0.7686 | 0.5134 | 0.6523 | 0.028* | |
| H2B | 0.5231 | 0.5172 | 0.5873 | 0.028* | |
| C3 | 0.4630 (2) | 0.64378 (13) | 0.68296 (12) | 0.0205 (3) | |
| C4 | 0.2525 (2) | 0.75600 (14) | 0.60738 (12) | 0.0232 (3) | |
| H4A | 0.1305 | 0.7150 | 0.5857 | 0.028* | |
| H4B | 0.1708 | 0.8122 | 0.6521 | 0.028* | |
| C5 | 0.3312 (2) | 0.84458 (13) | 0.50111 (11) | 0.0205 (3) | |
| C6 | 0.5413 (2) | 0.79848 (13) | 0.45053 (11) | 0.0204 (3) | |
| C7 | 0.3597 (3) | 0.54314 (14) | 0.77432 (13) | 0.0279 (3) | |
| H7A | 0.2623 | 0.5885 | 0.8223 | 0.042* | |
| H7B | 0.4949 | 0.4707 | 0.8213 | 0.042* | |
| H7C | 0.2558 | 0.5056 | 0.7380 | 0.042* | |
| C8 | 0.6225 (2) | 0.70218 (14) | 0.74076 (12) | 0.0246 (3) | |
| H8A | 0.5235 | 0.7468 | 0.7888 | 0.037* | |
| H8B | 0.6887 | 0.7674 | 0.6828 | 0.037* | |
| H8C | 0.7578 | 0.6298 | 0.7878 | 0.037* | |
| C9 | 0.6047 (2) | 0.88745 (13) | 0.34042 (12) | 0.0218 (3) | |
| H9A | 0.7842 | 0.8612 | 0.3361 | 0.026* | |
| H9B | 0.5595 | 0.9811 | 0.3404 | 0.026* | |
| C10 | 0.4806 (2) | 0.88266 (13) | 0.23604 (12) | 0.0232 (3) | |
| H10 | 0.5208 | 0.9356 | 0.1648 | 0.028* | |
| C11 | 0.3217 (2) | 0.81262 (13) | 0.23315 (12) | 0.0223 (3) | |
| H11 | 0.2803 | 0.7602 | 0.3043 | 0.027* | |
| C12 | 0.2022 (2) | 0.80775 (13) | 0.13049 (12) | 0.0218 (3) | |
| C13 | 0.0192 (2) | 0.74014 (14) | 0.14118 (13) | 0.0257 (3) | |
| H13 | −0.0262 | 0.6972 | 0.2147 | 0.031* | |
| C14 | −0.0978 (3) | 0.73432 (15) | 0.04654 (14) | 0.0303 (4) | |
| H14 | −0.2210 | 0.6869 | 0.0557 | 0.036* | |
| C15 | −0.0356 (3) | 0.79759 (15) | −0.06144 (14) | 0.0294 (3) | |
| H15 | −0.1168 | 0.7944 | −0.1265 | 0.035* | |
| C16 | 0.1453 (3) | 0.86525 (14) | −0.07378 (13) | 0.0275 (3) | |
| H16 | 0.1881 | 0.9093 | −0.1476 | 0.033* | |
| C17 | 0.2645 (3) | 0.86914 (14) | 0.02109 (13) | 0.0256 (3) | |
| H17 | 0.3910 | 0.9144 | 0.0116 | 0.031* |