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. 2012 Oct 31;68(Pt 11):o3243. doi: 10.1107/S1600536812042857
x y z Uiso*/Ueq
F1 0.6641 (4) 0.7921 (4) 0.35902 (18) 0.1420 (13)
F2 −0.0352 (4) 0.0629 (4) 0.3531 (2) 0.1733 (18)
F3 −0.0010 (4) 0.2786 (4) 0.35550 (19) 0.1465 (15)
F4 −0.0132 (4) 0.1720 (4) 0.27235 (19) 0.1558 (16)
N1 0.9794 (3) 0.7317 (3) 0.17362 (14) 0.0623 (9)
H1N 1.0634 0.7032 0.1657 0.081*
N2 0.9521 (4) 0.6187 (4) 0.29247 (17) 0.0772 (10)
O1 0.7573 (3) 0.9834 (3) −0.15804 (14) 0.0945 (11)
H1 0.7304 1.0632 −0.1533 0.123*
O2 1.0042 (3) 0.6279 (3) 0.05966 (14) 0.0850 (9)
O3 0.7802 (4) 0.5059 (4) 0.33367 (18) 0.1197 (13)
O4 0.2142 (4) 0.0147 (4) 0.3220 (2) 0.1226 (14)
O5 0.2540 (3) 0.2358 (4) 0.34091 (16) 0.0951 (11)
C1 0.7985 (4) 0.9296 (5) −0.1033 (2) 0.0742 (12)
C2 0.8442 (5) 0.7938 (5) −0.1037 (2) 0.0813 (13)
H2 0.8444 0.7442 −0.1401 0.106*
C3 0.8891 (4) 0.7321 (4) −0.0505 (2) 0.0753 (12)
H3 0.9200 0.6409 −0.0512 0.098*
C4 0.8891 (4) 0.8047 (4) 0.00491 (19) 0.0642 (11)
C5 0.8382 (4) 0.9385 (4) 0.0040 (2) 0.0720 (12)
H5 0.8336 0.9874 0.0405 0.094*
C6 0.7943 (4) 1.0014 (5) −0.0493 (2) 0.0766 (12)
H6 0.7618 1.0921 −0.0488 0.100*
C7 0.9441 (4) 0.7384 (4) 0.06037 (19) 0.0653 (11)
C8 0.9287 (5) 0.8139 (4) 0.12025 (18) 0.0711 (12)
H8A 0.9763 0.9016 0.1190 0.092*
H8B 0.8353 0.8346 0.1253 0.092*
C9 0.8978 (5) 0.6055 (4) 0.1846 (2) 0.0846 (14)
H9A 0.8992 0.5449 0.1493 0.110*
H9B 0.8063 0.6325 0.1908 0.110*
C10 0.9516 (5) 0.5284 (4) 0.2399 (2) 0.0872 (14)
H10A 0.8969 0.4473 0.2472 0.113*
H10B 1.0415 0.4968 0.2329 0.113*
C11 1.0351 (5) 0.7411 (4) 0.28498 (18) 0.0728 (12)
H11A 1.1268 0.7127 0.2803 0.095*
H11B 1.0314 0.7994 0.3210 0.095*
C12 0.9874 (4) 0.8226 (4) 0.22957 (18) 0.0684 (11)
H12A 0.9003 0.8614 0.2368 0.089*
H12B 1.0480 0.8993 0.2228 0.089*
C13 0.8623 (5) 0.6010 (6) 0.3364 (2) 0.0864 (14)
C14 0.8670 (5) 0.6952 (5) 0.3901 (2) 0.0782 (13)
C15 0.7657 (6) 0.7849 (6) 0.4023 (3) 0.0935 (15)
C16 0.7596 (7) 0.8661 (6) 0.4533 (3) 0.1098 (19)
H16 0.6881 0.9251 0.4598 0.143*
C17 0.8654 (8) 0.8552 (7) 0.4944 (3) 0.117 (2)
H17 0.8663 0.9095 0.5295 0.152*
C18 0.9690 (7) 0.7671 (8) 0.4851 (3) 0.133 (2)
H18 1.0400 0.7609 0.5133 0.173*
C19 0.9659 (6) 0.6875 (7) 0.4329 (3) 0.124 (2)
H19 1.0354 0.6255 0.4269 0.161*
C20 0.1836 (5) 0.1356 (6) 0.3310 (2) 0.0810 (14)
C21 0.0321 (5) 0.1635 (6) 0.3290 (3) 0.0932 (15)