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. 2014 Jan 29;70(Pt 2):o212–o213. doi: 10.1107/S1600536814001342
x y z Uiso*/Ueq
C1 0.30233 (10) 0.60315 (14) 0.46304 (8) 0.0376 (4)
C2 0.31928 (12) 0.59976 (18) 0.39942 (9) 0.0508 (5)
H2 0.2838 0.6021 0.3677 0.061*
C3 0.39066 (13) 0.59284 (19) 0.38525 (10) 0.0573 (6)
H3 0.4035 0.5891 0.3430 0.069*
C4 0.44365 (12) 0.59128 (18) 0.43162 (11) 0.0539 (5)
H4 0.4915 0.5875 0.4202 0.065*
C5 0.42723 (10) 0.59515 (16) 0.49463 (9) 0.0434 (4)
H5 0.4633 0.5941 0.5259 0.052*
C6 0.35545 (9) 0.60060 (13) 0.51051 (8) 0.0338 (4)
C7 0.32037 (9) 0.60416 (13) 0.57063 (8) 0.0321 (3)
C8 0.34576 (9) 0.60187 (14) 0.63289 (8) 0.0347 (4)
C9 0.29861 (9) 0.60208 (14) 0.68281 (8) 0.0360 (4)
C10 0.22473 (9) 0.60638 (14) 0.66796 (8) 0.0353 (4)
C11 0.19794 (9) 0.61140 (15) 0.60641 (9) 0.0375 (4)
H11 0.1489 0.6162 0.5978 0.045*
C12 0.24651 (9) 0.60903 (13) 0.55824 (8) 0.0333 (4)
C13 0.17149 (9) 0.61156 (15) 0.71942 (8) 0.0367 (4)
C14 0.15400 (10) 0.71305 (15) 0.74444 (8) 0.0398 (4)
H14 0.1787 0.7750 0.7313 0.048*
C15 0.10101 (10) 0.72501 (15) 0.78834 (8) 0.0393 (4)
C16 0.06477 (9) 0.63314 (16) 0.81004 (8) 0.0384 (4)
C17 0.07991 (9) 0.53179 (16) 0.78529 (9) 0.0408 (4)
H17 0.0550 0.4699 0.7983 0.049*
C18 0.13256 (10) 0.52280 (15) 0.74091 (9) 0.0388 (4)
C19 0.15457 (11) 0.42952 (17) 0.46831 (10) 0.0504 (5)
C20 0.19244 (13) 0.36252 (19) 0.42797 (13) 0.0632 (6)
H20 0.2196 0.3928 0.3960 0.076*
C21 0.18912 (18) 0.2500 (2) 0.43609 (19) 0.0933 (11)
H21 0.2144 0.2038 0.4095 0.112*
C22 0.1490 (2) 0.2064 (3) 0.4828 (2) 0.1137 (15)
H22 0.1465 0.1305 0.4876 0.136*
C23 0.1125 (2) 0.2727 (3) 0.5224 (2) 0.1109 (13)
H23 0.0859 0.2421 0.5546 0.133*
C24 0.11478 (17) 0.3856 (2) 0.51522 (14) 0.0790 (8)
H24 0.0894 0.4310 0.5421 0.095*
C25 0.32572 (11) 0.59430 (18) 0.75030 (9) 0.0488 (5)
H25A 0.3757 0.5753 0.7510 0.073*
H25B 0.2992 0.5388 0.7720 0.073*
H25C 0.3195 0.6638 0.7709 0.073*
C26 0.45504 (12) 0.6937 (2) 0.65493 (13) 0.0670 (7)
H26A 0.4489 0.7400 0.6184 0.101*
H26B 0.5052 0.6799 0.6626 0.101*
H26C 0.4355 0.7295 0.6911 0.101*
N1 0.23420 (8) 0.61223 (12) 0.49177 (7) 0.0379 (3)
N2 0.14522 (10) 0.41316 (14) 0.71521 (9) 0.0547 (4)
O1 0.10190 (8) 0.62053 (13) 0.49305 (8) 0.0582 (4)
O2 0.16291 (9) 0.59563 (13) 0.39235 (7) 0.0590 (4)
O3 0.20623 (10) 0.38349 (14) 0.70792 (11) 0.0838 (6)
O4 0.09295 (11) 0.35658 (15) 0.70249 (11) 0.0870 (6)
O5 0.41857 (6) 0.59176 (11) 0.64406 (6) 0.0428 (3)
S1 0.15720 (3) 0.57206 (4) 0.45772 (2) 0.04322 (14)
Cl1 0.08048 (3) 0.85490 (4) 0.81386 (3) 0.05761 (16)
Cl2 0.00173 (3) 0.64492 (5) 0.86734 (2) 0.05700 (16)