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. 2011 Oct 29;67(Pt 11):o3034. doi: 10.1107/S1600536811045314
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*