x | y | z | Uiso*/Ueq | ||
C1 | 0.9387 (3) | 0.1311 (3) | 0.7046 (3) | 0.0377 (7) | |
C2 | 1.0552 (3) | 0.1122 (3) | 0.5995 (3) | 0.0393 (7) | |
H2 | 1.0797 | 0.1812 | 0.5197 | 0.047* | |
C3 | 1.1345 (3) | −0.0115 (3) | 0.6159 (3) | 0.0411 (7) | |
C4 | 1.0993 (3) | −0.1153 (3) | 0.7352 (3) | 0.0433 (8) | |
H4 | 1.1517 | −0.1990 | 0.7447 | 0.052* | |
C5 | 0.9853 (3) | −0.0911 (3) | 0.8389 (3) | 0.0399 (7) | |
C6 | 0.9046 (3) | 0.0313 (3) | 0.8241 (3) | 0.0424 (7) | |
H6 | 0.8276 | 0.0461 | 0.8947 | 0.051* | |
C7 | 0.6961 (3) | 0.5299 (3) | 0.6619 (3) | 0.0341 (7) | |
C8 | 0.5498 (3) | 0.5569 (3) | 0.6821 (3) | 0.0429 (7) | |
H8 | 0.5004 | 0.5304 | 0.6245 | 0.051* | |
C9 | 0.4755 (3) | 0.6225 (3) | 0.7858 (3) | 0.0476 (8) | |
H9 | 0.3773 | 0.6391 | 0.7982 | 0.057* | |
C10 | 0.5490 (3) | 0.6624 (3) | 0.8697 (3) | 0.0442 (8) | |
C11 | 0.6936 (3) | 0.6343 (3) | 0.8557 (3) | 0.0472 (8) | |
H11 | 0.7414 | 0.6591 | 0.9154 | 0.057* | |
C12 | 0.7665 (3) | 0.5688 (3) | 0.7519 (3) | 0.0416 (7) | |
H12 | 0.8642 | 0.5503 | 0.7417 | 0.050* | |
C13 | 0.8483 (3) | 0.3402 (3) | 0.5672 (3) | 0.0400 (7) | |
H13 | 0.8987 | 0.3089 | 0.4896 | 0.048* | |
C14 | 0.7768 (3) | 0.4626 (3) | 0.5486 (3) | 0.0352 (7) | |
C15 | 0.7837 (3) | 0.5296 (3) | 0.4060 (3) | 0.0378 (7) | |
C16 | 0.7084 (4) | 0.7295 (3) | 0.2597 (3) | 0.0469 (8) | |
H16A | 0.6915 | 0.6667 | 0.2031 | 0.056* | |
H16B | 0.8017 | 0.7750 | 0.2182 | 0.056* | |
C17 | 0.5928 (4) | 0.8392 (4) | 0.2728 (4) | 0.0638 (10) | |
H17A | 0.5009 | 0.7929 | 0.3116 | 0.096* | |
H17B | 0.5941 | 0.8959 | 0.1844 | 0.096* | |
H17C | 0.6095 | 0.8993 | 0.3307 | 0.096* | |
C18 | 1.0305 (4) | −0.3072 (3) | 0.9843 (3) | 0.0595 (10) | |
H18A | 1.0336 | −0.3627 | 0.9167 | 0.089* | |
H18B | 0.9906 | −0.3639 | 1.0731 | 0.089* | |
H18C | 1.1262 | −0.2773 | 0.9788 | 0.089* | |
C19 | 1.2980 (4) | 0.0648 (3) | 0.3998 (3) | 0.0580 (9) | |
H19A | 1.2229 | 0.0832 | 0.3525 | 0.087* | |
H19B | 1.3822 | 0.0325 | 0.3418 | 0.087* | |
H19C | 1.3206 | 0.1506 | 0.4242 | 0.087* | |
Cl1 | 0.45938 (11) | 0.75361 (11) | 0.99503 (10) | 0.0720 (4) | |
O5 | 0.8538 (3) | 0.2570 (3) | 0.6900 (3) | 0.0694 (7) | |
O1 | 0.8506 (2) | 0.4862 (2) | 0.3068 (2) | 0.0560 (6) | |
O2 | 0.7048 (2) | 0.6494 (2) | 0.39530 (19) | 0.0412 (5) | |
O3 | 0.9429 (2) | −0.1850 (2) | 0.9607 (2) | 0.0501 (6) | |
O4 | 1.2510 (2) | −0.0425 (2) | 0.5203 (2) | 0.0545 (6) |