x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cl2A | 1.27478 (8) | 0.07230 (7) | 0.07772 (9) | 0.0732 (3) | 0.8872 (16) |
C14A | 1.0144 (2) | 0.26844 (18) | −0.0167 (2) | 0.0429 (7) | 0.8872 (16) |
C15A | 1.1235 (3) | 0.2245 (2) | 0.0335 (2) | 0.0511 (7) | 0.8872 (16) |
H15A | 1.1837 | 0.2590 | 0.0874 | 0.061* | 0.8872 (16) |
C16A | 1.1443 (2) | 0.1307 (2) | 0.0047 (2) | 0.0490 (7) | 0.8872 (16) |
C17A | 1.0592 (2) | 0.07963 (17) | −0.0761 (2) | 0.0387 (6) | 0.8872 (16) |
C18A | 0.9496 (2) | 0.12388 (18) | −0.1256 (2) | 0.0424 (6) | 0.8872 (16) |
H18A | 0.8900 | 0.0898 | −0.1806 | 0.051* | 0.8872 (16) |
C19A | 0.9270 (2) | 0.21625 (19) | −0.0957 (2) | 0.0435 (6) | 0.8872 (16) |
H19A | 0.8514 | 0.2448 | −0.1291 | 0.052* | 0.8872 (16) |
C20A | 1.0824 (3) | −0.0174 (2) | −0.1067 (2) | 0.0449 (7) | 0.8872 (16) |
N4A | 1.0998 (2) | −0.09457 (18) | −0.1320 (2) | 0.0584 (7) | 0.8872 (16) |
Cl2B | 0.8417 (6) | 0.0473 (6) | −0.1826 (7) | 0.0732 (3) | 0.1128 (16) |
C14B | 1.0144 (2) | 0.26844 (18) | −0.0167 (2) | 0.0429 (7) | 0.1128 (16) |
C15B | 1.1235 (3) | 0.2245 (2) | 0.0335 (2) | 0.0511 (7) | 0.1128 (16) |
H15B | 1.1837 | 0.2590 | 0.0874 | 0.061* | 0.1128 (16) |
C16B | 1.1443 (2) | 0.1307 (2) | 0.0047 (2) | 0.0490 (7) | 0.1128 (16) |
H16B | 1.2182 | 0.1007 | 0.0410 | 0.059* | 0.1128 (16) |
C17B | 1.0592 (2) | 0.07963 (17) | −0.0761 (2) | 0.0387 (6) | 0.1128 (16) |
C18B | 0.9496 (2) | 0.12388 (18) | −0.1256 (2) | 0.0424 (6) | 0.1128 (16) |
C19B | 0.9270 (2) | 0.21625 (19) | −0.0957 (2) | 0.0435 (6) | 0.1128 (16) |
H19B | 0.8514 | 0.2448 | −0.1291 | 0.052* | 0.1128 (16) |
C20B | 1.0824 (3) | −0.0174 (2) | −0.1067 (2) | 0.0449 (7) | 0.1128 (16) |
N4B | 1.0998 (2) | −0.09457 (18) | −0.1320 (2) | 0.0584 (7) | 0.1128 (16) |
Cl1 | 0.35886 (9) | 0.15552 (9) | −0.18125 (10) | 0.1015 (4) | |
O1 | 0.67082 (15) | 0.36934 (13) | 0.30483 (14) | 0.0440 (5) | |
O2 | 0.6947 (2) | 0.53124 (14) | 0.30330 (18) | 0.0635 (6) | |
N1 | 0.88569 (18) | 0.31127 (15) | 0.12045 (18) | 0.0418 (5) | |
H1 | 0.9209 | 0.2541 | 0.1288 | 0.050* | |
N2 | 0.89937 (19) | 0.47517 (14) | 0.08817 (18) | 0.0445 (6) | |
H2 | 0.9239 | 0.5226 | 0.0544 | 0.053* | |
N3 | 0.9962 (2) | 0.36677 (15) | 0.0096 (2) | 0.0480 (6) | |
C1 | 0.6064 (3) | 0.3833 (2) | 0.3825 (2) | 0.0545 (8) | |
H1A | 0.6603 | 0.4078 | 0.4523 | 0.082* | |
H1B | 0.5725 | 0.3211 | 0.3952 | 0.082* | |
H1C | 0.5426 | 0.4305 | 0.3525 | 0.082* | |
C2 | 0.7139 (2) | 0.4517 (2) | 0.2724 (2) | 0.0429 (6) | |
C3 | 0.7800 (2) | 0.42850 (18) | 0.1967 (2) | 0.0393 (6) | |
C4 | 0.8352 (2) | 0.49915 (19) | 0.1574 (2) | 0.0405 (6) | |
C5 | 0.8350 (3) | 0.60622 (18) | 0.1828 (2) | 0.0478 (7) | |
H5A | 0.7538 | 0.6311 | 0.1557 | 0.072* | |
H5B | 0.8843 | 0.6411 | 0.1466 | 0.072* | |
H5C | 0.8667 | 0.6161 | 0.2627 | 0.072* | |
C6 | 0.7861 (2) | 0.32283 (18) | 0.1639 (2) | 0.0398 (6) | |
H6 | 0.8027 | 0.2821 | 0.2320 | 0.048* | |
C7 | 0.6733 (2) | 0.28406 (18) | 0.0795 (2) | 0.0403 (6) | |
C8 | 0.6315 (3) | 0.1926 (2) | 0.0943 (3) | 0.0552 (8) | |
H8 | 0.6691 | 0.1570 | 0.1597 | 0.066* | |
C9 | 0.5350 (3) | 0.1527 (2) | 0.0139 (3) | 0.0697 (10) | |
H9 | 0.5076 | 0.0894 | 0.0234 | 0.084* | |
C10 | 0.4795 (3) | 0.2057 (3) | −0.0795 (3) | 0.0625 (9) | |
C11 | 0.5174 (3) | 0.2981 (2) | −0.0955 (3) | 0.0589 (8) | |
H11 | 0.4778 | 0.3345 | −0.1598 | 0.071* | |
C12 | 0.6147 (3) | 0.3362 (2) | −0.0151 (2) | 0.0496 (7) | |
H12 | 0.6420 | 0.3994 | −0.0250 | 0.060* | |
C13 | 0.9271 (2) | 0.38082 (17) | 0.0692 (2) | 0.0400 (6) |