x | y | z | Uiso*/Ueq | ||
O1 | 0.34787 (13) | 0.2316 (2) | 0.50086 (12) | 0.0278 (6) | |
O2 | 0.60321 (15) | 0.6965 (2) | 0.74637 (13) | 0.0341 (7) | |
N1 | 0.41055 (18) | 0.2793 (3) | 0.60384 (16) | 0.0374 (9) | |
H1N | 0.414 (2) | 0.267 (4) | 0.6479 (11) | 0.045* | |
N2 | 0.32387 (16) | 0.1387 (3) | 0.60835 (15) | 0.0252 (7) | |
H2N | 0.333 (2) | 0.138 (3) | 0.6520 (11) | 0.030* | |
N3 | 0.66516 (18) | 0.6521 (3) | 0.64143 (16) | 0.0302 (8) | |
H3N | 0.664 (2) | 0.664 (3) | 0.5948 (11) | 0.036* | |
N4 | 0.58391 (18) | 0.8006 (3) | 0.64105 (15) | 0.0306 (8) | |
H4N | 0.593 (2) | 0.798 (3) | 0.5976 (11) | 0.037* | |
C1 | 0.5353 (2) | 0.3564 (3) | 0.59313 (18) | 0.0265 (8) | |
C2 | 0.5746 (2) | 0.4512 (3) | 0.61638 (18) | 0.0284 (9) | |
H2 | 0.5515 | 0.5237 | 0.6160 | 0.034* | |
C3 | 0.6492 (2) | 0.4409 (3) | 0.64085 (18) | 0.0260 (8) | |
C4 | 0.6807 (2) | 0.3341 (3) | 0.6401 (2) | 0.0359 (10) | |
H4 | 0.7304 | 0.3254 | 0.6562 | 0.043* | |
C5 | 0.6429 (3) | 0.2405 (4) | 0.6169 (2) | 0.0472 (12) | |
H5 | 0.6661 | 0.1680 | 0.6165 | 0.057* | |
C6 | 0.5719 (2) | 0.2520 (4) | 0.5945 (2) | 0.0399 (10) | |
H6 | 0.5459 | 0.1860 | 0.5790 | 0.048* | |
C7 | 0.4566 (2) | 0.3648 (3) | 0.5684 (2) | 0.0362 (10) | |
H7A | 0.4372 | 0.4414 | 0.5801 | 0.043* | |
H7B | 0.4542 | 0.3545 | 0.5146 | 0.043* | |
C8 | 0.35958 (18) | 0.2172 (3) | 0.56722 (17) | 0.0221 (8) | |
C9 | 0.2612 (2) | 0.0693 (3) | 0.58226 (18) | 0.0303 (9) | |
C10 | 0.2850 (2) | −0.0051 (4) | 0.5169 (2) | 0.0393 (10) | |
H10A | 0.2983 | 0.0437 | 0.4753 | 0.059* | |
H10B | 0.2440 | −0.0551 | 0.5027 | 0.059* | |
H10C | 0.3278 | −0.0513 | 0.5310 | 0.059* | |
C11 | 0.1961 (2) | 0.1455 (4) | 0.5611 (2) | 0.0376 (10) | |
H11A | 0.1792 | 0.1876 | 0.6044 | 0.056* | |
H11B | 0.1556 | 0.0986 | 0.5423 | 0.056* | |
H11C | 0.2119 | 0.1993 | 0.5231 | 0.056* | |
C12 | 0.2391 (3) | −0.0088 (4) | 0.6458 (2) | 0.0457 (12) | |
H12A | 0.2818 | −0.0548 | 0.6606 | 0.069* | |
H12B | 0.1988 | −0.0590 | 0.6300 | 0.069* | |
H12C | 0.2225 | 0.0374 | 0.6875 | 0.069* | |
C13 | 0.6909 (2) | 0.5427 (3) | 0.6683 (2) | 0.0333 (10) | |
H13A | 0.6883 | 0.5433 | 0.7225 | 0.040* | |
H13B | 0.7435 | 0.5339 | 0.6545 | 0.040* | |
C14 | 0.6158 (2) | 0.7160 (3) | 0.68049 (18) | 0.0272 (8) | |
C15 | 0.5256 (2) | 0.8778 (3) | 0.66675 (18) | 0.0259 (8) | |
C16 | 0.5559 (2) | 0.9634 (3) | 0.7207 (2) | 0.0362 (10) | |
H16A | 0.5762 | 0.9234 | 0.7634 | 0.054* | |
H16B | 0.5161 | 1.0143 | 0.7366 | 0.054* | |
H16C | 0.5951 | 1.0079 | 0.6972 | 0.054* | |
C17 | 0.4608 (2) | 0.8133 (4) | 0.6996 (2) | 0.0417 (11) | |
H17A | 0.4416 | 0.7590 | 0.6635 | 0.063* | |
H17B | 0.4216 | 0.8671 | 0.7131 | 0.063* | |
H17C | 0.4773 | 0.7723 | 0.7435 | 0.063* | |
C18 | 0.4988 (3) | 0.9395 (4) | 0.5971 (2) | 0.0434 (11) | |
H18A | 0.5408 | 0.9771 | 0.5733 | 0.065* | |
H18B | 0.4616 | 0.9966 | 0.6105 | 0.065* | |
H18C | 0.4768 | 0.8843 | 0.5632 | 0.065* |