| x | y | z | Uiso*/Ueq | ||
| O1 | 0.98210 (13) | −0.0744 (6) | 0.36427 (7) | 0.0805 (7) | |
| O2 | 0.96858 (10) | −0.3277 (4) | 0.43327 (5) | 0.0501 (4) | |
| O3 | 0.36614 (12) | 0.4187 (5) | 0.44993 (6) | 0.0606 (5) | |
| O4 | 0.32332 (10) | 0.1834 (4) | 0.37774 (5) | 0.0466 (4) | |
| N1 | 0.47109 (13) | −0.0534 (5) | 0.36494 (6) | 0.0430 (5) | |
| C1 | 1.12156 (18) | −0.3904 (7) | 0.40327 (10) | 0.0628 (7) | |
| H1A | 1.1314 | −0.5250 | 0.3763 | 0.094* | |
| H1B | 1.1304 | −0.5297 | 0.4311 | 0.094* | |
| H1C | 1.1700 | −0.2091 | 0.4069 | 0.094* | |
| C2 | 1.01799 (17) | −0.2475 (7) | 0.39635 (9) | 0.0496 (6) | |
| C3 | 0.86835 (15) | −0.2184 (6) | 0.43289 (8) | 0.0425 (5) | |
| C4 | 0.79303 (16) | −0.3064 (6) | 0.39696 (8) | 0.0447 (6) | |
| H4 | 0.8082 | −0.4318 | 0.3713 | 0.054* | |
| C5 | 0.69517 (15) | −0.2074 (6) | 0.39935 (7) | 0.0414 (5) | |
| H5 | 0.6442 | −0.2660 | 0.3751 | 0.050* | |
| C6 | 0.67139 (15) | −0.0187 (6) | 0.43805 (7) | 0.0388 (5) | |
| C7 | 0.74930 (16) | 0.0581 (6) | 0.47402 (8) | 0.0453 (6) | |
| H7 | 0.7348 | 0.1787 | 0.5003 | 0.054* | |
| C8 | 0.84763 (16) | −0.0399 (6) | 0.47180 (7) | 0.0479 (6) | |
| H8 | 0.8990 | 0.0138 | 0.4962 | 0.057* | |
| C9 | 0.57088 (15) | 0.1106 (6) | 0.44158 (7) | 0.0406 (5) | |
| H9 | 0.5640 | 0.2187 | 0.4699 | 0.049* | |
| C10 | 0.48645 (15) | 0.0971 (6) | 0.40999 (7) | 0.0396 (5) | |
| C11 | 0.39108 (16) | 0.2560 (6) | 0.41824 (8) | 0.0435 (5) | |
| C12 | 0.37851 (15) | 0.0018 (6) | 0.34861 (7) | 0.0410 (5) | |
| C13 | 0.32449 (17) | −0.1052 (6) | 0.30296 (8) | 0.0449 (6) | |
| C14 | 0.22131 (19) | −0.0575 (7) | 0.29152 (9) | 0.0566 (7) | |
| H14 | 0.1849 | 0.0484 | 0.3129 | 0.068* | |
| C15 | 0.1725 (2) | −0.1672 (8) | 0.24835 (10) | 0.0686 (8) | |
| H15 | 0.1030 | −0.1381 | 0.2409 | 0.082* | |
| C16 | 0.2258 (2) | −0.3186 (7) | 0.21650 (9) | 0.0692 (8) | |
| H16 | 0.1924 | −0.3929 | 0.1875 | 0.083* | |
| C17 | 0.3283 (2) | −0.3612 (7) | 0.22719 (9) | 0.0673 (8) | |
| H17 | 0.3644 | −0.4603 | 0.2051 | 0.081* | |
| C18 | 0.3783 (2) | −0.2584 (7) | 0.27036 (8) | 0.0567 (7) | |
| H18 | 0.4477 | −0.2913 | 0.2777 | 0.068* |