| x | y | z | Uiso*/Ueq | ||
| C1 | 0.49134 (9) | 0.22562 (19) | 0.67636 (14) | 0.0387 (4) | |
| C2 | 0.54245 (9) | 0.2962 (2) | 0.62577 (15) | 0.0434 (4) | |
| C3 | 0.52777 (12) | 0.2896 (2) | 0.49065 (17) | 0.0546 (5) | |
| H3 | 0.5639 | 0.3378 | 0.4607 | 0.066* | |
| C4 | 0.45847 (12) | 0.2102 (2) | 0.40223 (17) | 0.0588 (5) | |
| H4 | 0.4471 | 0.2058 | 0.3107 | 0.071* | |
| C5 | 0.40569 (11) | 0.1370 (2) | 0.44656 (16) | 0.0540 (5) | |
| H5 | 0.3589 | 0.0835 | 0.3852 | 0.065* | |
| C6 | 0.42203 (9) | 0.1426 (2) | 0.58296 (15) | 0.0444 (4) | |
| C7 | 0.30000 (13) | −0.0071 (4) | 0.5464 (2) | 0.0944 (8) | |
| H7A | 0.2673 | 0.0767 | 0.4817 | 0.142* | |
| H7B | 0.2716 | −0.0485 | 0.5971 | 0.142* | |
| H7C | 0.3110 | −0.1012 | 0.4998 | 0.142* | |
| N1 | 0.61559 (9) | 0.3880 (2) | 0.71661 (15) | 0.0557 (4) | |
| O1 | 0.37432 (7) | 0.06986 (18) | 0.63620 (11) | 0.0594 (4) | |
| O2 | 0.61327 (8) | 0.47507 (17) | 0.80791 (13) | 0.0615 (4) | |
| O3 | 0.67594 (9) | 0.3739 (3) | 0.69543 (17) | 0.0967 (6) |