x | y | z | Uiso*/Ueq | ||
C1 | 0.2830 (3) | 0.0882 (2) | 1.0555 (2) | 0.0319 (5) | |
C2 | 0.2874 (3) | 0.0814 (2) | 0.9309 (2) | 0.0343 (5) | |
H2 | 0.2496 | 0.0132 | 0.9075 | 0.041* | |
C3 | 0.3483 (3) | 0.1763 (2) | 0.8410 (2) | 0.0299 (5) | |
H3 | 0.3551 | 0.1720 | 0.7552 | 0.036* | |
C4 | 0.3996 (2) | 0.27816 (19) | 0.87595 (19) | 0.0234 (4) | |
C5 | 0.3944 (3) | 0.2816 (2) | 1.0028 (2) | 0.0277 (5) | |
H5 | 0.4310 | 0.3500 | 1.0269 | 0.033* | |
C6 | 0.3360 (3) | 0.1857 (2) | 1.0938 (2) | 0.0320 (5) | |
H6 | 0.3326 | 0.1873 | 1.1803 | 0.038* | |
C7 | 0.4587 (3) | 0.3856 (2) | 0.78235 (18) | 0.0237 (4) | |
C8 | 0.5521 (3) | 0.5859 (2) | 0.72503 (18) | 0.0239 (4) | |
C9 | 0.7254 (3) | 0.5618 (2) | 0.70425 (19) | 0.0259 (4) | |
C10 | 0.7851 (3) | 0.6667 (2) | 0.6259 (2) | 0.0306 (5) | |
H10 | 0.9022 | 0.6527 | 0.6104 | 0.037* | |
C11 | 0.6771 (3) | 0.7907 (2) | 0.5702 (2) | 0.0317 (5) | |
H11 | 0.7201 | 0.8614 | 0.5180 | 0.038* | |
C12 | 0.5055 (3) | 0.8114 (2) | 0.5911 (2) | 0.0306 (5) | |
H12 | 0.4321 | 0.8961 | 0.5513 | 0.037* | |
C13 | 0.4386 (3) | 0.7111 (2) | 0.6689 (2) | 0.0267 (5) | |
C14 | 0.8468 (3) | 0.4269 (2) | 0.7645 (2) | 0.0307 (5) | |
H14 | 0.7792 | 0.3633 | 0.8100 | 0.037* | |
C15 | 0.9545 (3) | 0.3613 (3) | 0.6651 (3) | 0.0427 (6) | |
H15A | 0.8819 | 0.3544 | 0.6022 | 0.064* | |
H15B | 1.0214 | 0.2697 | 0.7057 | 0.064* | |
H15C | 1.0293 | 0.4178 | 0.6239 | 0.064* | |
C16 | 0.9550 (3) | 0.4460 (3) | 0.8613 (2) | 0.0406 (6) | |
H16A | 1.0282 | 0.5032 | 0.8185 | 0.061* | |
H16B | 1.0235 | 0.3566 | 0.9054 | 0.061* | |
H16C | 0.8827 | 0.4905 | 0.9222 | 0.061* | |
C17 | 0.2510 (3) | 0.7304 (2) | 0.6917 (2) | 0.0308 (5) | |
H17 | 0.2250 | 0.6450 | 0.6838 | 0.037* | |
C18 | 0.2005 (3) | 0.7468 (3) | 0.8252 (3) | 0.0446 (6) | |
H18A | 0.2680 | 0.6693 | 0.8861 | 0.067* | |
H18B | 0.0816 | 0.7497 | 0.8397 | 0.067* | |
H18C | 0.2195 | 0.8320 | 0.8353 | 0.067* | |
C19 | 0.1440 (3) | 0.8492 (3) | 0.5950 (3) | 0.0438 (6) | |
H19A | 0.1614 | 0.9356 | 0.6032 | 0.066* | |
H19B | 0.0255 | 0.8510 | 0.6101 | 0.066* | |
H19C | 0.1766 | 0.8370 | 0.5099 | 0.066* | |
N1 | 0.2200 (3) | −0.0141 (2) | 1.1512 (2) | 0.0457 (6) | |
N2 | 0.4892 (2) | 0.48451 (17) | 0.81255 (16) | 0.0246 (4) | |
O1 | 0.1607 (3) | −0.0925 (2) | 1.1148 (2) | 0.0716 (7) | |
O2 | 0.2325 (3) | −0.0162 (2) | 1.2616 (2) | 0.0651 (6) | |
Cl1 | 0.48157 (10) | 0.36574 (7) | 0.62743 (5) | 0.0461 (2) |