| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| O1 | 0.2602 (5) | 0.1771 (2) | 0.05280 (10) | 0.0674 (8) | |
| O2 | 0.1786 (9) | 0.0959 (3) | −0.03152 (13) | 0.1292 (18) | |
| O3 | 0.8756 (6) | 0.0717 (3) | 0.17213 (14) | 0.0865 (10) | |
| O4 | 0.2049 (6) | −0.4043 (2) | 0.11499 (12) | 0.0742 (9) | |
| C1 | 0.3211 (11) | 0.1093 (3) | 0.00511 (16) | 0.0782 (15) | |
| C2 | 0.5491 (10) | 0.0631 (4) | 0.00509 (16) | 0.0766 (15) | |
| H2A | 0.6523 | 0.1218 | −0.0079 | 0.092* | |
| H2B | 0.5577 | 0.0005 | −0.0229 | 0.092* | |
| C3 | 0.6193 (8) | 0.0208 (3) | 0.06653 (15) | 0.0596 (10) | |
| H3 | 0.7809 | 0.0069 | 0.0657 | 0.072* | |
| C4 | 0.5755 (7) | 0.1163 (3) | 0.10917 (15) | 0.0498 (9) | |
| C5 | 0.7227 (8) | 0.1351 (4) | 0.1596 (2) | 0.0757 (13) | |
| C6 | 0.7088 (10) | 0.2528 (4) | 0.1872 (2) | 0.0597 (17) | 0.721 (7) |
| H6A | 0.7831 | 0.3072 | 0.1616 | 0.072* | 0.721 (7) |
| H6B | 0.7866 | 0.2523 | 0.2249 | 0.072* | 0.721 (7) |
| C6' | 0.584 (3) | 0.1803 (12) | 0.2150 (6) | 0.064 (5) | 0.279 (7) |
| H6'1 | 0.4749 | 0.1236 | 0.2271 | 0.077* | 0.279 (7) |
| H6'2 | 0.6836 | 0.1945 | 0.2481 | 0.077* | 0.279 (7) |
| C7 | 0.4652 (6) | 0.2907 (3) | 0.19705 (14) | 0.0516 (9) | |
| C8 | 0.3415 (7) | 0.2858 (3) | 0.13786 (14) | 0.0591 (10) | |
| H8A | 0.1821 | 0.2814 | 0.1455 | 0.071* | |
| H8B | 0.3695 | 0.3559 | 0.1163 | 0.071* | |
| C9 | 0.4070 (7) | 0.1883 (3) | 0.10012 (13) | 0.0502 (9) | |
| C10 | 0.3528 (11) | 0.2039 (5) | 0.2381 (2) | 0.0695 (19) | 0.721 (7) |
| H10A | 0.4307 | 0.2017 | 0.2753 | 0.104* | 0.721 (7) |
| H10B | 0.3571 | 0.1299 | 0.2201 | 0.104* | 0.721 (7) |
| H10C | 0.2001 | 0.2258 | 0.2447 | 0.104* | 0.721 (7) |
| C11 | 0.4615 (15) | 0.4084 (6) | 0.2232 (3) | 0.080 (2) | 0.721 (7) |
| H11A | 0.5441 | 0.4088 | 0.2597 | 0.119* | 0.721 (7) |
| H11B | 0.3097 | 0.4307 | 0.2308 | 0.119* | 0.721 (7) |
| H11C | 0.5286 | 0.4611 | 0.1959 | 0.119* | 0.721 (7) |
| C10' | 0.651 (3) | 0.3774 (11) | 0.1822 (7) | 0.062 (4) | 0.279 (7) |
| H10D | 0.5839 | 0.4465 | 0.1678 | 0.094* | 0.279 (7) |
| H10E | 0.7469 | 0.3463 | 0.1522 | 0.094* | 0.279 (7) |
| H10F | 0.7361 | 0.3934 | 0.2172 | 0.094* | 0.279 (7) |
| C11' | 0.326 (4) | 0.3516 (15) | 0.2465 (7) | 0.073 (5) | 0.279 (7) |
| H11D | 0.4237 | 0.3733 | 0.2783 | 0.109* | 0.279 (7) |
| H11E | 0.2137 | 0.3005 | 0.2612 | 0.109* | 0.279 (7) |
| H11F | 0.2560 | 0.4182 | 0.2303 | 0.109* | 0.279 (7) |
| C12 | 0.5050 (7) | −0.0900 (3) | 0.08200 (13) | 0.0496 (9) | |
| C13 | 0.3053 (7) | −0.0949 (3) | 0.11313 (14) | 0.0522 (9) | |
| H13 | 0.2407 | −0.0275 | 0.1263 | 0.063* | |
| C14 | 0.1992 (7) | −0.1971 (3) | 0.12516 (14) | 0.0545 (9) | |
| H14 | 0.0657 | −0.1980 | 0.1463 | 0.065* | |
| C15 | 0.2929 (7) | −0.2976 (3) | 0.10557 (15) | 0.0533 (9) | |
| C16 | 0.4910 (7) | −0.2948 (3) | 0.07371 (15) | 0.0595 (10) | |
| H16 | 0.5539 | −0.3623 | 0.0601 | 0.071* | |
| C17 | 0.5949 (7) | −0.1928 (3) | 0.06213 (14) | 0.0570 (9) | |
| H17 | 0.7277 | −0.1922 | 0.0406 | 0.068* | |
| C18 | 0.0106 (9) | −0.4122 (4) | 0.1497 (2) | 0.0809 (13) | |
| H18A | 0.0434 | −0.3882 | 0.1895 | 0.121* | |
| H18B | −0.0408 | −0.4897 | 0.1502 | 0.121* | |
| H18C | −0.1035 | −0.3641 | 0.1333 | 0.121* |