| x | y | z | Uiso*/Ueq | ||
| N1 | 0.54565 (17) | 0.50653 (18) | 0.21981 (11) | 0.0443 (4) | |
| N2 | 0.41517 (19) | 0.53627 (19) | 0.18161 (11) | 0.0457 (4) | |
| N3 | 0.0801 (2) | 0.6980 (3) | 0.03464 (14) | 0.0763 (7) | |
| O1 | 0.84079 (19) | 0.3686 (2) | 0.05708 (12) | 0.0681 (5) | |
| O2 | 0.33671 (17) | 0.66164 (18) | 0.29682 (10) | 0.0586 (4) | |
| C1 | 0.7782 (2) | 0.4068 (2) | 0.20059 (15) | 0.0454 (5) | |
| C2 | 0.8837 (2) | 0.3667 (2) | 0.14119 (15) | 0.0508 (5) | |
| C3 | 1.0208 (3) | 0.3312 (3) | 0.1677 (2) | 0.0635 (7) | |
| H3 | 1.0901 | 0.3046 | 0.1279 | 0.076* | |
| C4 | 1.0535 (3) | 0.3360 (3) | 0.2543 (2) | 0.0662 (7) | |
| H4 | 1.1455 | 0.3123 | 0.2724 | 0.079* | |
| C5 | 0.9519 (3) | 0.3753 (3) | 0.31421 (19) | 0.0621 (6) | |
| H5 | 0.9751 | 0.3784 | 0.3722 | 0.075* | |
| C6 | 0.8156 (3) | 0.4098 (2) | 0.28694 (15) | 0.0516 (5) | |
| H6 | 0.7469 | 0.4358 | 0.3273 | 0.062* | |
| C7 | 0.6357 (2) | 0.4433 (2) | 0.17089 (15) | 0.0466 (5) | |
| H7 | 0.6091 | 0.4202 | 0.1151 | 0.056* | |
| C8 | 0.3205 (2) | 0.6206 (2) | 0.22245 (13) | 0.0420 (5) | |
| C9 | 0.1932 (2) | 0.6646 (2) | 0.17108 (14) | 0.0428 (5) | |
| C10 | 0.0723 (3) | 0.7159 (3) | 0.21159 (16) | 0.0623 (7) | |
| H10 | 0.0690 | 0.7228 | 0.2710 | 0.075* | |
| C11 | −0.0433 (3) | 0.7567 (4) | 0.1626 (2) | 0.0797 (9) | |
| H11 | −0.1265 | 0.7907 | 0.1884 | 0.096* | |
| C12 | −0.0339 (3) | 0.7463 (4) | 0.07564 (19) | 0.0779 (9) | |
| H12 | −0.1125 | 0.7749 | 0.0432 | 0.093* | |
| C13 | 0.1914 (3) | 0.6590 (3) | 0.08281 (14) | 0.0571 (6) | |
| H13 | 0.2732 | 0.6259 | 0.0550 | 0.069* | |
| C14 | 0.9423 (4) | 0.3294 (4) | −0.0070 (2) | 0.0921 (11) | |
| H14A | 1.0234 | 0.3926 | −0.0041 | 0.138* | |
| H14B | 0.8987 | 0.3366 | −0.0626 | 0.138* | |
| H14C | 0.9734 | 0.2325 | 0.0026 | 0.138* | |
| H2 | 0.394 (3) | 0.496 (3) | 0.1309 (11) | 0.080* |