x | y | z | Uiso*/Ueq | ||
P1 | 0.55273 (4) | 0.28199 (4) | 0.97803 (2) | 0.03501 (15) | |
F1 | 0.00592 (13) | 0.50210 (15) | 1.10740 (8) | 0.0863 (5) | |
O1 | 0.32311 (13) | 0.10156 (12) | 0.97315 (7) | 0.0522 (4) | |
O2 | 0.62121 (12) | 0.41249 (11) | 0.97696 (6) | 0.0424 (3) | |
N1 | 0.39319 (14) | 0.31600 (13) | 0.98654 (7) | 0.0384 (4) | |
H1 | 0.3699 | 0.3994 | 0.9901 | 0.046* | |
N2 | 0.56968 (16) | 0.18952 (15) | 0.91224 (7) | 0.0457 (4) | |
H2 | 0.5594 | 0.1032 | 0.9149 | 0.055* | |
N3 | 0.59807 (15) | 0.17934 (14) | 1.03822 (7) | 0.0407 (4) | |
H3 | 0.6244 | 0.1001 | 1.0273 | 0.049* | |
C1 | 0.0244 (2) | 0.3949 (2) | 1.06744 (11) | 0.0523 (5) | |
C2 | 0.14869 (18) | 0.36985 (19) | 1.04838 (10) | 0.0462 (5) | |
H2A | 0.2185 | 0.4259 | 1.0621 | 0.055* | |
C3 | 0.16722 (17) | 0.25899 (17) | 1.00822 (9) | 0.0381 (4) | |
C4 | 0.29931 (18) | 0.21885 (16) | 0.98807 (9) | 0.0375 (4) | |
C5 | 0.60112 (19) | 0.24700 (18) | 0.85011 (9) | 0.0439 (4) | |
C6 | 0.7180 (2) | 0.3164 (2) | 0.84531 (11) | 0.0558 (5) | |
H6 | 0.7763 | 0.3256 | 0.8822 | 0.067* | |
C7 | 0.7477 (3) | 0.3719 (3) | 0.78558 (12) | 0.0684 (7) | |
H7 | 0.8258 | 0.4196 | 0.7831 | 0.082* | |
C8 | 0.6657 (3) | 0.3589 (2) | 0.72965 (11) | 0.0726 (7) | |
C9 | 0.7009 (4) | 0.4217 (3) | 0.66478 (14) | 0.1173 (13) | |
H9A | 0.7807 | 0.3818 | 0.6512 | 0.176* | |
H9B | 0.7130 | 0.5176 | 0.6705 | 0.176* | |
H9C | 0.6314 | 0.4053 | 0.6316 | 0.176* | |
C10 | 0.06158 (19) | 0.1775 (2) | 0.98825 (10) | 0.0492 (5) | |
H10 | 0.0741 | 0.1025 | 0.9616 | 0.059* | |
C11 | −0.0622 (2) | 0.2074 (2) | 1.00776 (12) | 0.0601 (6) | |
H11 | −0.1329 | 0.1531 | 0.9936 | 0.072* | |
C12 | −0.0815 (2) | 0.3170 (2) | 1.04808 (12) | 0.0591 (6) | |
H12 | −0.1645 | 0.3374 | 1.0617 | 0.071* | |
C13 | 0.59854 (18) | 0.20754 (18) | 1.10666 (9) | 0.0410 (4) | |
C14 | 0.6514 (2) | 0.1138 (2) | 1.15103 (10) | 0.0577 (5) | |
H14 | 0.6853 | 0.0331 | 1.1357 | 0.069* | |
C15 | 0.6545 (3) | 0.1384 (3) | 1.21817 (12) | 0.0753 (7) | |
H15 | 0.6903 | 0.0735 | 1.2473 | 0.090* | |
C16 | 0.6059 (3) | 0.2569 (3) | 1.24288 (11) | 0.0699 (7) | |
C17 | 0.5550 (3) | 0.3505 (3) | 1.19855 (12) | 0.0721 (7) | |
H17 | 0.5225 | 0.4317 | 1.2142 | 0.087* | |
C18 | 0.5505 (2) | 0.3279 (2) | 1.13088 (11) | 0.0609 (6) | |
H18 | 0.5154 | 0.3933 | 1.1019 | 0.073* | |
C19 | 0.6086 (4) | 0.2837 (4) | 1.31697 (12) | 0.1036 (11) | |
H19A | 0.6172 | 0.3794 | 1.3250 | 0.155* | |
H19B | 0.6818 | 0.2370 | 1.3386 | 0.155* | |
H19C | 0.5286 | 0.2517 | 1.3340 | 0.155* | |
C20 | 0.5180 (2) | 0.2333 (2) | 0.79481 (11) | 0.0633 (6) | |
H20 | 0.4392 | 0.1869 | 0.7974 | 0.076* | |
C21 | 0.5505 (3) | 0.2879 (3) | 0.73502 (11) | 0.0772 (8) | |
H21 | 0.4936 | 0.2766 | 0.6978 | 0.093* |