| x | y | z | Uiso*/Ueq | ||
| O1 | 0.53861 (18) | 0.72502 (7) | 0.79211 (12) | 0.0752 (4) | |
| O2 | 0.20209 (16) | 1.03186 (6) | 0.56513 (10) | 0.0642 (3) | |
| C1 | 0.53056 (19) | 0.86680 (8) | 0.94301 (13) | 0.0478 (3) | |
| C2 | 0.6917 (2) | 0.88894 (10) | 0.95792 (15) | 0.0592 (4) | |
| H2A | 0.7215 | 0.8740 | 0.9017 | 0.071* | |
| C3 | 0.8018 (3) | 0.93154 (11) | 1.05315 (18) | 0.0738 (5) | |
| H3A | 0.9052 | 0.9465 | 1.0604 | 0.089* | |
| C4 | 0.7618 (3) | 0.95337 (12) | 1.14117 (18) | 0.0802 (6) | |
| H4A | 0.8400 | 0.9815 | 1.2071 | 0.096* | |
| C5 | 0.6114 (3) | 0.93389 (11) | 1.13057 (16) | 0.0731 (5) | |
| H5A | 0.5870 | 0.9487 | 1.1896 | 0.088* | |
| C6 | 0.4886 (2) | 0.89110 (9) | 1.03106 (13) | 0.0552 (4) | |
| C7 | 0.3300 (2) | 0.87229 (10) | 1.01595 (15) | 0.0615 (4) | |
| H7A | 0.3036 | 0.8876 | 1.0738 | 0.074* | |
| C8 | 0.2100 (2) | 0.83166 (9) | 0.91831 (15) | 0.0538 (4) | |
| C9 | 0.0457 (3) | 0.81257 (11) | 0.90222 (19) | 0.0713 (5) | |
| H9A | 0.0176 | 0.8282 | 0.9591 | 0.086* | |
| C10 | −0.0685 (3) | 0.77249 (12) | 0.8065 (2) | 0.0787 (6) | |
| H10A | −0.1744 | 0.7609 | 0.7977 | 0.094* | |
| C11 | −0.0284 (2) | 0.74811 (11) | 0.7196 (2) | 0.0757 (6) | |
| H11A | −0.1087 | 0.7209 | 0.6535 | 0.091* | |
| C12 | 0.1255 (2) | 0.76379 (9) | 0.73108 (16) | 0.0605 (4) | |
| H12A | 0.1497 | 0.7466 | 0.6730 | 0.073* | |
| C13 | 0.25104 (19) | 0.80611 (8) | 0.83027 (14) | 0.0478 (3) | |
| C14 | 0.41240 (18) | 0.82319 (8) | 0.84557 (13) | 0.0445 (3) | |
| C15 | 0.4659 (2) | 0.78700 (8) | 0.76321 (14) | 0.0500 (4) | |
| C16 | 0.4322 (2) | 0.82415 (9) | 0.65306 (14) | 0.0526 (4) | |
| H16A | 0.4648 | 0.7987 | 0.6044 | 0.063* | |
| C17 | 0.35781 (19) | 0.89218 (8) | 0.61731 (12) | 0.0459 (3) | |
| H17A | 0.3278 | 0.9171 | 0.6678 | 0.055* | |
| C18 | 0.3182 (2) | 0.93191 (9) | 0.50726 (13) | 0.0489 (4) | |
| C19 | 0.3583 (2) | 0.90106 (11) | 0.42487 (15) | 0.0640 (5) | |
| H19A | 0.4128 | 0.8538 | 0.4405 | 0.077* | |
| C20 | 0.3189 (3) | 0.93900 (14) | 0.32089 (17) | 0.0804 (6) | |
| H20A | 0.3470 | 0.9176 | 0.2670 | 0.096* | |
| C21 | 0.2377 (3) | 1.00888 (14) | 0.29715 (17) | 0.0813 (6) | |
| H21A | 0.2101 | 1.0343 | 0.2265 | 0.098* | |
| C22 | 0.1965 (2) | 1.04188 (11) | 0.37628 (16) | 0.0686 (5) | |
| H22A | 0.1424 | 1.0893 | 0.3594 | 0.082* | |
| C23 | 0.2366 (2) | 1.00373 (9) | 0.48149 (13) | 0.0527 (4) | |
| C24 | 0.1245 (3) | 1.10560 (10) | 0.54615 (19) | 0.0769 (6) | |
| H24A | 0.1028 | 1.1170 | 0.6100 | 0.115* | |
| H24B | 0.0190 | 1.1057 | 0.4717 | 0.115* | |
| H24C | 0.1994 | 1.1437 | 0.5440 | 0.115* |