| x | y | z | Uiso*/Ueq | ||
| O1 | 0.38484 (18) | 0.5840 (2) | 0.45476 (7) | 0.0142 (2) | |
| H1 | 0.275 (4) | 0.638 (6) | 0.4745 (17) | 0.046 (8)* | |
| O2 | 0.37180 (17) | 0.9308 (2) | 0.37124 (7) | 0.0150 (2) | |
| O3 | 0.92950 (17) | 0.2135 (2) | 0.45684 (7) | 0.0124 (2) | |
| O4 | 1.05961 (17) | 0.2630 (2) | 0.32878 (7) | 0.0134 (2) | |
| H4 | 1.158 (4) | 0.171 (5) | 0.3519 (15) | 0.027 (6)* | |
| O5 | 0.76550 (18) | 0.8366 (2) | 0.32166 (7) | 0.0118 (2) | |
| O6 | 0.70176 (17) | 0.4547 (2) | 0.25475 (7) | 0.0116 (2) | |
| C1 | 0.4607 (2) | 0.7451 (3) | 0.40041 (9) | 0.0104 (3) | |
| C2 | 0.6846 (2) | 0.6758 (3) | 0.38313 (9) | 0.0099 (3) | |
| H2 | 0.774689 | 0.688258 | 0.438295 | 0.012* | |
| C3 | 0.7100 (2) | 0.4108 (3) | 0.34451 (9) | 0.0099 (3) | |
| H3 | 0.588324 | 0.303877 | 0.357764 | 0.012* | |
| C4 | 0.9117 (2) | 0.2852 (3) | 0.38196 (10) | 0.0103 (3) | |
| C5 | 0.7505 (2) | 0.7152 (3) | 0.23867 (9) | 0.0109 (3) | |
| C6 | 0.9603 (2) | 0.7413 (3) | 0.20088 (9) | 0.0145 (3) | |
| H6A | 1.069512 | 0.658928 | 0.239569 | 0.017* | |
| H6B | 0.996255 | 0.922393 | 0.196647 | 0.017* | |
| C7 | 0.9553 (3) | 0.6204 (4) | 0.11126 (11) | 0.0208 (4) | |
| H7A | 1.090749 | 0.648573 | 0.086579 | 0.025* | |
| H7B | 0.934204 | 0.435992 | 0.116324 | 0.025* | |
| C8 | 0.7800 (3) | 0.7324 (4) | 0.05127 (10) | 0.0233 (4) | |
| H8A | 0.775479 | 0.646187 | −0.005267 | 0.028* | |
| H8B | 0.807902 | 0.913725 | 0.041928 | 0.028* | |
| C9 | 0.5691 (3) | 0.7025 (4) | 0.08968 (10) | 0.0191 (3) | |
| H9A | 0.535628 | 0.520808 | 0.094378 | 0.023* | |
| H9B | 0.458492 | 0.782178 | 0.050960 | 0.023* | |
| C10 | 0.5734 (2) | 0.8254 (3) | 0.17929 (10) | 0.0151 (3) | |
| H10A | 0.593000 | 1.009889 | 0.173941 | 0.018* | |
| H10B | 0.438602 | 0.795642 | 0.204323 | 0.018* |