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. 2015 Jan 24;71(Pt 2):199–202. doi: 10.1107/S2056989015000936
x y z Uiso*/Ueq
F1 0.41272 (11) 0.45346 (3) 0.87343 (7) 0.0292 (2)
F2 −0.18072 (11) 0.38769 (4) 0.50333 (9) 0.0362 (2)
O1 0.49555 (11) 0.26340 (4) 0.55486 (8) 0.01916 (19)
O3 0.17815 (11) 0.32454 (4) 0.06255 (8) 0.0216 (2)
O4 0.01276 (11) 0.43064 (4) 0.41800 (8) 0.0204 (2)
F3 −0.16303 (13) 0.37653 (4) 0.29712 (9) 0.0449 (3)
O2 0.23911 (11) 0.27391 (3) 0.24391 (8) 0.01759 (19)
F4 −0.25704 (12) 0.45026 (4) 0.36505 (14) 0.0611 (4)
N1 0.53587 (13) 0.23207 (4) 0.35123 (10) 0.0163 (2)
C7 0.27384 (14) 0.34306 (5) 0.39881 (12) 0.0153 (2)
C3 0.27935 (16) 0.38083 (5) 0.75683 (12) 0.0198 (3)
H3 0.2340 0.3693 0.8339 0.024*
C1 0.31213 (15) 0.37069 (5) 0.52612 (11) 0.0153 (2)
C2 0.24707 (15) 0.35278 (5) 0.63949 (12) 0.0175 (3)
H2 0.1803 0.3212 0.6360 0.021*
C5 0.44905 (16) 0.44430 (5) 0.65007 (12) 0.0190 (3)
H5 0.5197 0.4750 0.6555 0.023*
C18 0.45164 (15) 0.25822 (5) 0.43641 (12) 0.0151 (2)
C6 0.41299 (15) 0.41644 (5) 0.53279 (12) 0.0167 (2)
H6 0.4576 0.4287 0.4560 0.020*
C9 0.21170 (15) 0.32210 (5) 0.18045 (12) 0.0166 (2)
C12 0.25614 (16) 0.44545 (5) 0.13706 (12) 0.0195 (3)
H12 0.3302 0.4254 0.0898 0.023*
C11 0.18971 (15) 0.42177 (5) 0.24354 (12) 0.0163 (2)
C8 0.28161 (15) 0.28284 (5) 0.38281 (11) 0.0156 (2)
H8 0.1925 0.2662 0.4304 0.019*
C10 0.22884 (15) 0.36535 (5) 0.28033 (12) 0.0159 (2)
C4 0.37925 (16) 0.42599 (5) 0.75857 (12) 0.0196 (3)
C13 0.21580 (17) 0.49790 (5) 0.09903 (13) 0.0221 (3)
H13 0.2616 0.5132 0.0260 0.027*
C16 0.08092 (15) 0.45302 (5) 0.30855 (12) 0.0171 (2)
C19 0.70069 (15) 0.20563 (5) 0.38884 (12) 0.0178 (3)
C21 0.68968 (18) 0.16575 (6) 0.50104 (13) 0.0257 (3)
H21A 0.6657 0.1851 0.5802 0.038*
H21B 0.7967 0.1466 0.5194 0.038*
H21C 0.5996 0.1399 0.4755 0.038*
C15 0.04164 (16) 0.50550 (5) 0.27394 (13) 0.0210 (3)
H15 −0.0303 0.5260 0.3222 0.025*
C20 0.83339 (17) 0.24854 (6) 0.42715 (15) 0.0275 (3)
H20A 0.8465 0.2711 0.3505 0.041*
H20B 0.9407 0.2312 0.4576 0.041*
H20C 0.7981 0.2708 0.4980 0.041*
C14 0.10909 (17) 0.52781 (5) 0.16737 (13) 0.0231 (3)
H14 0.0820 0.5637 0.1413 0.028*
C17 −0.14429 (17) 0.41192 (6) 0.39516 (14) 0.0269 (3)
C22 0.74529 (18) 0.17542 (6) 0.26798 (13) 0.0257 (3)
H22A 0.6615 0.1474 0.2442 0.039*
H22B 0.8564 0.1590 0.2878 0.039*
H22C 0.7467 0.2005 0.1942 0.039*
H1 0.496 (2) 0.2324 (6) 0.2709 (17) 0.025 (4)*