| x | y | z | Uiso*/Ueq | ||
| O1 | 0.2142 (2) | 0.49721 (17) | 0.14033 (13) | 0.0473 (5) | |
| H1 | 0.2522 | 0.5090 | 0.0758 | 0.071* | |
| O2 | 0.7532 (3) | 0.48406 (16) | 0.08445 (12) | 0.0431 (5) | |
| H2 | 0.8893 | 0.4984 | 0.1146 | 0.065* | |
| C1 | 0.5747 (4) | 0.41846 (19) | 0.24878 (17) | 0.0299 (5) | |
| C2 | 0.7724 (4) | 0.4594 (2) | 0.34277 (18) | 0.0381 (6) | |
| H21 | 0.9204 | 0.4638 | 0.3122 | 0.046* | |
| H22 | 0.7393 | 0.5432 | 0.3729 | 0.046* | |
| C3 | 0.7843 (5) | 0.3602 (2) | 0.4357 (2) | 0.0562 (8) | |
| H31 | 0.8906 | 0.2912 | 0.4223 | 0.067* | |
| H32 | 0.8361 | 0.3975 | 0.5112 | 0.067* | |
| C4 | 0.5393 (6) | 0.3131 (3) | 0.4270 (2) | 0.0586 (8) | |
| H41 | 0.4413 | 0.3733 | 0.4619 | 0.070* | |
| H42 | 0.5330 | 0.2302 | 0.4641 | 0.070* | |
| C5 | 0.4640 (4) | 0.3034 (2) | 0.2995 (2) | 0.0475 (7) | |
| H51 | 0.2939 | 0.3064 | 0.2812 | 0.057* | |
| H52 | 0.5198 | 0.2240 | 0.2696 | 0.057* | |
| C6 | 0.4039 (4) | 0.5258 (2) | 0.22489 (19) | 0.0363 (6) | |
| H61 | 0.3447 | 0.5481 | 0.2960 | 0.044* | |
| H62 | 0.4853 | 0.6002 | 0.2004 | 0.044* | |
| C7 | 0.6631 (4) | 0.3799 (2) | 0.14014 (19) | 0.0388 (6) | |
| H71 | 0.7856 | 0.3158 | 0.1581 | 0.047* | |
| H72 | 0.5356 | 0.3410 | 0.0880 | 0.047* |