x | y | z | Uiso*/Ueq | ||
O1 | −0.0113 (3) | 0.38836 (12) | 0.50834 (13) | 0.0608 (6) | |
O2 | 0.0844 (3) | 0.46943 (12) | 0.39536 (13) | 0.0627 (6) | |
H2A | 0.0587 | 0.5109 | 0.4284 | 0.094* | |
N1 | 0.0777 (3) | 0.17493 (14) | 0.34517 (17) | 0.0511 (6) | |
N2 | 0.0425 (3) | 0.23313 (15) | 0.41044 (16) | 0.0491 (6) | |
C1 | 0.0605 (5) | 0.07913 (19) | 0.3588 (3) | 0.0738 (10) | |
H1A | 0.0634 | 0.0488 | 0.3021 | 0.111* | |
H1B | −0.0500 | 0.0667 | 0.3852 | 0.111* | |
H1C | 0.1569 | 0.0583 | 0.3980 | 0.111* | |
C2 | 0.0474 (4) | 0.39448 (17) | 0.43217 (19) | 0.0451 (7) | |
C3 | 0.0726 (3) | 0.31492 (17) | 0.37687 (17) | 0.0402 (6) | |
C4 | 0.1346 (3) | 0.31004 (17) | 0.28951 (17) | 0.0398 (6) | |
C5 | 0.1353 (3) | 0.21700 (18) | 0.27100 (19) | 0.0444 (7) | |
C6 | 0.1899 (3) | 0.37047 (19) | 0.22478 (18) | 0.0478 (7) | |
H6A | 0.1896 | 0.4321 | 0.2355 | 0.057* | |
C7 | 0.2442 (4) | 0.3372 (2) | 0.1459 (2) | 0.0593 (8) | |
H7A | 0.2834 | 0.3769 | 0.1030 | 0.071* | |
C8 | 0.2429 (4) | 0.2443 (2) | 0.1273 (2) | 0.0620 (9) | |
H8A | 0.2790 | 0.2240 | 0.0722 | 0.074* | |
C9 | 0.1899 (4) | 0.1841 (2) | 0.1883 (2) | 0.0604 (9) | |
H9A | 0.1896 | 0.1228 | 0.1761 | 0.073* | |
O3 | 0.4920 (3) | 0.38818 (12) | 0.47829 (12) | 0.0587 (6) | |
H3A | 0.4752 | 0.4303 | 0.5122 | 0.088* | |
O4 | 0.5840 (3) | 0.50052 (13) | 0.39334 (14) | 0.0655 (6) | |
N3 | 0.6825 (3) | 0.30394 (16) | 0.21444 (15) | 0.0519 (6) | |
N4 | 0.6574 (3) | 0.37909 (15) | 0.26119 (15) | 0.0474 (6) | |
C10 | 0.7390 (4) | 0.3098 (2) | 0.12273 (19) | 0.0672 (9) | |
H10A | 0.7340 | 0.2512 | 0.0957 | 0.101* | |
H10B | 0.8584 | 0.3321 | 0.1234 | 0.101* | |
H10C | 0.6618 | 0.3499 | 0.0887 | 0.101* | |
C11 | 0.5579 (3) | 0.41736 (17) | 0.40759 (18) | 0.0433 (7) | |
C12 | 0.5990 (3) | 0.35246 (17) | 0.33950 (17) | 0.0380 (6) | |
C13 | 0.5881 (3) | 0.25681 (17) | 0.34408 (18) | 0.0406 (6) | |
C14 | 0.6464 (4) | 0.22852 (19) | 0.26155 (19) | 0.0465 (7) | |
C15 | 0.6532 (4) | 0.1370 (2) | 0.2374 (2) | 0.0616 (9) | |
H15A | 0.6879 | 0.1192 | 0.1813 | 0.074* | |
C16 | 0.6078 (4) | 0.0772 (2) | 0.2984 (3) | 0.0677 (10) | |
H16A | 0.6139 | 0.0163 | 0.2849 | 0.081* | |
C17 | 0.5502 (4) | 0.1039 (2) | 0.3838 (2) | 0.0669 (9) | |
H17A | 0.5181 | 0.0600 | 0.4243 | 0.080* | |
C18 | 0.5410 (4) | 0.19292 (18) | 0.4077 (2) | 0.0531 (7) | |
H18A | 0.5050 | 0.2101 | 0.4638 | 0.064* |