| x | y | z | Uiso*/Ueq | ||
| O1 | 1.1970 (2) | −0.2798 (3) | 0.80271 (19) | 0.0587 (7) | |
| O2 | 1.1274 (2) | −0.0419 (2) | 0.80976 (18) | 0.0552 (7) | |
| O3 | 0.5191 (2) | −0.3553 (3) | 0.66776 (18) | 0.0646 (7) | |
| O4 | 0.5065 (2) | −0.1212 (3) | 0.60519 (17) | 0.0585 (7) | |
| O5 | 0.7976 (2) | 0.0496 (2) | 0.94983 (17) | 0.0506 (6) | |
| O6 | 0.8453 (2) | −0.4676 (2) | 0.96422 (18) | 0.0567 (7) | |
| C1 | 1.2919 (4) | −0.2184 (5) | 0.7683 (3) | 0.0710 (12) | |
| H1A | 1.3430 | −0.3006 | 0.7586 | 0.106* | |
| H1B | 1.3407 | −0.1472 | 0.8136 | 0.106* | |
| H1C | 1.2556 | −0.1660 | 0.7097 | 0.106* | |
| C2 | 1.1177 (3) | −0.1782 (3) | 0.8194 (2) | 0.0401 (7) | |
| C3 | 1.0191 (3) | −0.2557 (3) | 0.8502 (2) | 0.0408 (7) | |
| H3A | 1.0564 | −0.3225 | 0.9033 | 0.049* | |
| H3B | 0.9697 | −0.3190 | 0.7991 | 0.049* | |
| C4 | 0.9365 (2) | −0.1393 (3) | 0.8785 (2) | 0.0360 (7) | |
| H4A | 0.9057 | −0.0673 | 0.8269 | 0.043* | |
| H4B | 0.9858 | −0.0814 | 0.9324 | 0.043* | |
| C5 | 0.4002 (3) | −0.1660 (5) | 0.5299 (3) | 0.0597 (10) | |
| H5A | 0.3724 | −0.0805 | 0.4881 | 0.089* | |
| H5B | 0.3361 | −0.1974 | 0.5557 | 0.089* | |
| H5C | 0.4211 | −0.2501 | 0.4957 | 0.089* | |
| C6 | 0.5572 (3) | −0.2265 (4) | 0.6703 (2) | 0.0430 (7) | |
| C7 | 0.6632 (3) | −0.1613 (4) | 0.7454 (2) | 0.0513 (8) | |
| H7A | 0.6340 | −0.0785 | 0.7769 | 0.062* | |
| H7B | 0.7214 | −0.1179 | 0.7163 | 0.062* | |
| C8 | 0.7290 (3) | −0.2793 (3) | 0.8186 (2) | 0.0413 (7) | |
| H8A | 0.7683 | −0.3542 | 0.7887 | 0.050* | |
| H8B | 0.6686 | −0.3333 | 0.8410 | 0.050* | |
| C9 | 0.6618 (3) | −0.1291 (4) | 0.9838 (3) | 0.0582 (9) | |
| H9A | 0.6315 | −0.0401 | 1.0081 | 0.087* | |
| H9B | 0.6907 | −0.2033 | 1.0334 | 0.087* | |
| H9C | 0.5967 | −0.1734 | 0.9338 | 0.087* | |
| C10 | 0.7649 (3) | −0.0831 (4) | 0.9467 (2) | 0.0393 (7) | |
| C11 | 0.9581 (3) | −0.2844 (4) | 1.0738 (2) | 0.0539 (9) | |
| H11A | 0.9808 | −0.3720 | 1.1146 | 0.081* | |
| H11B | 0.9172 | −0.2102 | 1.1018 | 0.081* | |
| H11C | 1.0305 | −0.2389 | 1.0648 | 0.081* | |
| C12 | 0.8733 (3) | −0.3344 (3) | 0.9802 (2) | 0.0394 (7) | |
| C13 | 0.8265 (2) | −0.2094 (3) | 0.9038 (2) | 0.0341 (6) |