x | y | z | Uiso*/Ueq | ||
C1 | 0.21139 (18) | 0.57501 (13) | 1.19989 (14) | 0.0463 (4) | |
C2 | 0.13466 (18) | 0.48762 (12) | 1.24574 (13) | 0.0436 (4) | |
C3 | 0.13127 (19) | 0.50961 (13) | 1.35921 (14) | 0.0492 (4) | |
C4 | 0.06725 (18) | 0.38172 (12) | 1.18533 (13) | 0.0463 (4) | |
H4 | 0.0150 | 0.3265 | 1.2146 | 0.056* | |
C5 | 0.07300 (18) | 0.35191 (12) | 1.08046 (13) | 0.0443 (4) | |
C6 | 0.15295 (17) | 0.43610 (12) | 1.03866 (13) | 0.0426 (4) | |
C7 | 0.17389 (18) | 0.41745 (13) | 0.93993 (14) | 0.0494 (4) | |
H7 | 0.2289 | 0.4764 | 0.9159 | 0.059* | |
C8 | 0.11153 (18) | 0.30841 (13) | 0.87521 (13) | 0.0484 (4) | |
C9 | 0.02840 (19) | 0.22172 (13) | 0.91645 (14) | 0.0524 (4) | |
H9 | −0.0144 | 0.1489 | 0.8754 | 0.063* | |
C10 | 0.01086 (19) | 0.24390 (13) | 1.01450 (14) | 0.0516 (4) | |
H10 | −0.0443 | 0.1855 | 1.0391 | 0.062* | |
C11 | 0.0769 (2) | 0.17291 (15) | 0.71424 (16) | 0.0645 (5) | |
H11A | 0.0960 | 0.1239 | 0.7666 | 0.077* | |
H11B | 0.1411 | 0.1699 | 0.6698 | 0.077* | |
C12 | −0.0988 (2) | 0.13259 (17) | 0.63824 (16) | 0.0768 (6) | |
H12A | −0.1625 | 0.1375 | 0.6817 | 0.115* | |
H12B | −0.1295 | 0.0565 | 0.6013 | 0.115* | |
H12C | −0.1168 | 0.1780 | 0.5832 | 0.115* | |
C13 | 0.2090 (2) | 0.37670 (15) | 0.72996 (15) | 0.0640 (5) | |
H13A | 0.1828 | 0.4430 | 0.7462 | 0.077* | |
H13B | 0.1687 | 0.3532 | 0.6491 | 0.077* | |
C14 | 0.3890 (2) | 0.40375 (17) | 0.77862 (19) | 0.0777 (6) | |
H14A | 0.4301 | 0.4333 | 0.8577 | 0.116* | |
H14B | 0.4371 | 0.4580 | 0.7430 | 0.116* | |
H14C | 0.4149 | 0.3373 | 0.7662 | 0.116* | |
C15 | 0.2466 (2) | 0.11381 (14) | 1.16812 (14) | 0.0526 (4) | |
C16 | 0.36577 (19) | 0.22392 (14) | 1.21170 (14) | 0.0506 (4) | |
C17 | 0.3901 (2) | 0.29587 (15) | 1.31736 (15) | 0.0556 (4) | |
C18 | 0.4607 (2) | 0.26342 (14) | 1.15444 (14) | 0.0544 (4) | |
H18 | 0.5359 | 0.3349 | 1.1819 | 0.065* | |
C19 | 0.44932 (19) | 0.20030 (13) | 1.05563 (14) | 0.0493 (4) | |
C20 | 0.33527 (18) | 0.09381 (13) | 1.01525 (13) | 0.0466 (4) | |
C21 | 0.31367 (19) | 0.02453 (13) | 0.92049 (14) | 0.0512 (4) | |
H21 | 0.2345 | −0.0454 | 0.8962 | 0.061* | |
C22 | 0.41151 (19) | 0.05924 (13) | 0.85967 (14) | 0.0494 (4) | |
C23 | 0.5282 (2) | 0.16798 (14) | 0.90010 (14) | 0.0547 (4) | |
H23 | 0.5936 | 0.1939 | 0.8614 | 0.066* | |
C24 | 0.5454 (2) | 0.23412 (14) | 0.99384 (15) | 0.0571 (4) | |
H24 | 0.6236 | 0.3045 | 1.0184 | 0.069* | |
C25 | 0.4975 (2) | 0.02687 (16) | 0.70252 (16) | 0.0687 (5) | |
H25A | 0.5055 | −0.0386 | 0.6639 | 0.082* | |
H25B | 0.6054 | 0.0717 | 0.7547 | 0.082* | |
C26 | 0.4354 (3) | 0.09271 (17) | 0.61840 (16) | 0.0806 (6) | |
H26A | 0.3285 | 0.0490 | 0.5663 | 0.121* | |
H26B | 0.5055 | 0.1117 | 0.5786 | 0.121* | |
H26C | 0.4322 | 0.1596 | 0.6563 | 0.121* | |
C27 | 0.2699 (2) | −0.11834 (14) | 0.72177 (16) | 0.0646 (5) | |
H27A | 0.2679 | −0.1551 | 0.7837 | 0.078* | |
H27B | 0.2989 | −0.1627 | 0.6727 | 0.078* | |
C28 | 0.1023 (2) | −0.11651 (16) | 0.65768 (16) | 0.0717 (5) | |
H28A | 0.0664 | −0.0811 | 0.7077 | 0.108* | |
H28B | 0.0299 | −0.1915 | 0.6253 | 0.108* | |
H28C | 0.1040 | −0.0758 | 0.5992 | 0.108* | |
N1 | 0.12851 (17) | 0.28688 (11) | 0.77682 (12) | 0.0596 (4) | |
N2 | 0.19388 (19) | 0.61432 (12) | 1.41508 (12) | 0.0581 (4) | |
H2 | 0.231 (2) | 0.6657 (13) | 1.3829 (16) | 0.087* | |
N3 | 0.1989 (2) | 0.64809 (13) | 1.52280 (14) | 0.0672 (4) | |
H3B | 0.268 (2) | 0.6211 (18) | 1.5658 (15) | 0.101* | |
H3A | 0.1032 (15) | 0.6189 (17) | 1.5226 (19) | 0.101* | |
N4 | 0.39535 (17) | −0.00890 (12) | 0.76634 (12) | 0.0579 (4) | |
N5 | 0.3063 (2) | 0.25209 (14) | 1.37695 (14) | 0.0663 (4) | |
H5 | 0.241 (2) | 0.1841 (10) | 1.3507 (18) | 0.099* | |
N6 | 0.3254 (2) | 0.30988 (17) | 1.48147 (15) | 0.0782 (5) | |
H6B | 0.270 (3) | 0.3544 (18) | 1.470 (2) | 0.117* | |
H6A | 0.4263 (14) | 0.3504 (18) | 1.5136 (19) | 0.117* | |
O1 | 0.21779 (13) | 0.54484 (8) | 1.09751 (9) | 0.0493 (3) | |
O2 | 0.27280 (15) | 0.67378 (9) | 1.24139 (10) | 0.0638 (3) | |
O3 | 0.07200 (17) | 0.43205 (10) | 1.39865 (11) | 0.0697 (4) | |
O4 | 0.23680 (13) | 0.05352 (9) | 1.07136 (9) | 0.0542 (3) | |
O5 | 0.15179 (15) | 0.06693 (10) | 1.20795 (11) | 0.0694 (4) | |
O6 | 0.48723 (17) | 0.39132 (11) | 1.34921 (11) | 0.0751 (4) |