| x | y | z | Uiso*/Ueq | ||
| C11 | 0.0173 (3) | 0.51865 (12) | 0.54568 (9) | 0.0333 (3) | |
| C12 | 0.2219 (4) | 0.53887 (16) | 0.58763 (12) | 0.0445 (4) | |
| H12 | 0.3342 | 0.4849 | 0.5926 | 0.053* | |
| C13 | 0.2585 (4) | 0.64005 (18) | 0.62216 (13) | 0.0530 (5) | |
| H13 | 0.3935 | 0.6530 | 0.6513 | 0.064* | |
| C14 | 0.0955 (4) | 0.72087 (17) | 0.61322 (14) | 0.0539 (5) | |
| H14 | 0.1215 | 0.7886 | 0.6359 | 0.065* | |
| C15 | −0.1073 (4) | 0.70186 (17) | 0.57065 (15) | 0.0539 (5) | |
| H15 | −0.2170 | 0.7567 | 0.5646 | 0.065* | |
| C16 | −0.1464 (3) | 0.60086 (15) | 0.53698 (12) | 0.0428 (4) | |
| H16 | −0.2828 | 0.5881 | 0.5085 | 0.051* | |
| C21 | 0.1121 (4) | 0.37609 (16) | 0.41002 (11) | 0.0463 (4) | |
| H21A | 0.2768 | 0.3904 | 0.4181 | 0.056* | |
| H21B | 0.0971 | 0.3022 | 0.3910 | 0.056* | |
| C22 | 0.0212 (3) | 0.45208 (15) | 0.34658 (10) | 0.0400 (4) | |
| C23 | 0.1432 (5) | 0.54488 (18) | 0.32764 (13) | 0.0561 (5) | |
| H23 | 0.2820 | 0.5606 | 0.3539 | 0.067* | |
| C24 | 0.0593 (6) | 0.6153 (2) | 0.26926 (16) | 0.0756 (8) | |
| H24 | 0.1425 | 0.6777 | 0.2566 | 0.091* | |
| C25 | −0.1438 (6) | 0.5929 (3) | 0.23093 (16) | 0.0769 (9) | |
| H25 | −0.2001 | 0.6403 | 0.1924 | 0.092* | |
| C26 | −0.2657 (6) | 0.5010 (3) | 0.24868 (14) | 0.0720 (7) | |
| H26 | −0.4033 | 0.4855 | 0.2216 | 0.086* | |
| C27 | −0.1855 (4) | 0.4311 (2) | 0.30663 (12) | 0.0535 (5) | |
| H27 | −0.2709 | 0.3693 | 0.3190 | 0.064* | |
| H1 | 0.101 (5) | 0.234 (3) | 0.5458 (19) | 0.080* | |
| O1 | 0.0790 (3) | 0.30554 (11) | 0.56144 (9) | 0.0480 (3) | |
| O2 | −0.2947 (2) | 0.37242 (9) | 0.49255 (9) | 0.0444 (3) | |
| P1 | −0.03542 (8) | 0.38743 (3) | 0.50410 (3) | 0.03482 (11) |