x | y | z | Uiso*/Ueq | ||
N1 | 0.31065 (12) | 0.5389 (3) | 0.53755 (7) | 0.0458 (4) | |
H1 | 0.3349 | 0.3881 | 0.5344 | 0.055* | |
N2 | 0.21647 (12) | 0.6131 (3) | 0.49876 (7) | 0.0445 (4) | |
N3 | −0.22800 (14) | 0.7277 (3) | 0.31088 (8) | 0.0636 (5) | |
H3A | −0.2549 | 0.6375 | 0.2777 | 0.076* | |
H3B | −0.2616 | 0.8609 | 0.3223 | 0.076* | |
O1 | 0.33735 (12) | 0.9288 (3) | 0.58300 (7) | 0.0629 (5) | |
C1 | 0.45840 (15) | 0.6003 (3) | 0.62353 (9) | 0.0436 (5) | |
C2 | 0.51973 (16) | 0.3936 (4) | 0.60532 (10) | 0.0542 (6) | |
H2 | 0.5019 | 0.3119 | 0.5646 | 0.065* | |
C3 | 0.60765 (18) | 0.3099 (4) | 0.64827 (12) | 0.0653 (6) | |
H3 | 0.6489 | 0.1736 | 0.6357 | 0.078* | |
C4 | 0.63412 (18) | 0.4268 (4) | 0.70911 (11) | 0.0646 (6) | |
H4 | 0.6927 | 0.3692 | 0.7375 | 0.078* | |
C5 | 0.57340 (18) | 0.6300 (4) | 0.72783 (10) | 0.0620 (6) | |
H5 | 0.5904 | 0.7084 | 0.7691 | 0.074* | |
C6 | 0.48743 (16) | 0.7162 (4) | 0.68502 (9) | 0.0545 (6) | |
H6 | 0.4479 | 0.8553 | 0.6976 | 0.065* | |
C7 | 0.36407 (15) | 0.7045 (4) | 0.58023 (8) | 0.0449 (5) | |
C8 | 0.17939 (15) | 0.4585 (3) | 0.45231 (8) | 0.0402 (5) | |
C9 | 0.07430 (14) | 0.5262 (3) | 0.41483 (8) | 0.0397 (5) | |
C10 | 0.01535 (15) | 0.7400 (3) | 0.43293 (8) | 0.0450 (5) | |
H10 | 0.0437 | 0.8397 | 0.4685 | 0.054* | |
C11 | −0.08369 (16) | 0.8054 (4) | 0.39912 (9) | 0.0480 (5) | |
H11 | −0.1199 | 0.9492 | 0.4118 | 0.058* | |
C12 | −0.12988 (15) | 0.6578 (4) | 0.34612 (9) | 0.0477 (5) | |
C13 | −0.07350 (17) | 0.4434 (4) | 0.32890 (9) | 0.0536 (6) | |
H13 | −0.1032 | 0.3403 | 0.2944 | 0.064* | |
C14 | 0.02614 (16) | 0.3814 (3) | 0.36233 (9) | 0.0496 (5) | |
H14 | 0.0622 | 0.2378 | 0.3492 | 0.060* | |
C15 | 0.23698 (17) | 0.2176 (3) | 0.43604 (10) | 0.0544 (6) | |
H15A | 0.3141 | 0.2481 | 0.4361 | 0.082* | |
H15B | 0.2093 | 0.1587 | 0.3923 | 0.082* | |
H15C | 0.2241 | 0.0929 | 0.4694 | 0.082* |