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. 2018 Jun 8;74(Pt 7):915–917. doi: 10.1107/S2056989018008277
x y z Uiso*/Ueq
P1 0.38432 (7) 0.33488 (6) 0.45621 (4) 0.01836 (15)
CL1 0.79937 (8) 0.30683 (7) 0.43532 (5) 0.0447 (2)
CL2 0.85600 (7) 0.07099 (6) 0.58507 (4) 0.03428 (18)
CL3 0.69011 (8) 0.09144 (7) 0.39715 (5) 0.0491 (2)
O1 0.24551 (17) 0.37482 (14) 0.53081 (11) 0.0219 (4)
O2 0.33202 (19) 0.24320 (15) 0.39667 (11) 0.0267 (4)
O3 0.42397 (18) 0.45000 (14) 0.39643 (11) 0.0247 (4)
O4 0.44032 (19) 0.15069 (15) 0.97521 (11) 0.0257 (4)
O5 0.86366 (19) 0.32359 (16) 0.85338 (12) 0.0310 (4)
O6 0.54932 (19) 0.11923 (15) 0.74528 (11) 0.0262 (4)
N1 0.6311 (2) 0.25003 (17) 0.88866 (13) 0.0187 (4)
N2 0.5722 (2) 0.2870 (2) 0.62148 (13) 0.0182 (4)
C1 0.5759 (3) 0.1669 (2) 0.96882 (16) 0.0203 (5)
C2 0.7905 (3) 0.2556 (2) 0.90771 (16) 0.0215 (5)
C3 0.8451 (3) 0.1656 (2) 1.00570 (15) 0.0194 (5)
C4 0.9935 (3) 0.1328 (2) 1.05637 (16) 0.0232 (5)
H4 1.080114 0.170025 1.030700 0.028*
C5 1.0114 (3) 0.0426 (2) 1.14710 (17) 0.0275 (6)
H5 1.112112 0.017187 1.184424 0.033*
C6 0.8833 (3) −0.0105 (2) 1.18346 (17) 0.0275 (6)
H6 0.898632 −0.071669 1.245561 0.033*
C7 0.7331 (3) 0.0230 (2) 1.13198 (16) 0.0248 (6)
H7 0.645930 −0.013498 1.157508 0.030*
C8 0.7172 (3) 0.1123 (2) 1.04154 (15) 0.0184 (5)
C9 0.5453 (3) 0.3201 (2) 0.79368 (15) 0.0188 (5)
H9 0.599930 0.389770 0.763816 0.023*
C10 0.3643 (3) 0.3834 (2) 0.80426 (16) 0.0219 (5)
H10A 0.320062 0.436484 0.737746 0.026*
H10B 0.305581 0.314522 0.821981 0.026*
C11 0.3267 (3) 0.4684 (2) 0.88262 (17) 0.0252 (6)
H11 0.361031 0.412380 0.950673 0.030*
C12 0.4201 (3) 0.5725 (2) 0.86449 (19) 0.0360 (7)
H12A 0.537536 0.532229 0.864970 0.054*
H12B 0.386046 0.630024 0.798851 0.054*
H12C 0.396886 0.622302 0.917967 0.054*
C13 0.1436 (3) 0.5270 (3) 0.8824 (2) 0.0418 (7)
H13A 0.086390 0.458013 0.894246 0.063*
H13B 0.118619 0.576531 0.936024 0.063*
H13C 0.107779 0.584253 0.816908 0.063*
C14 0.5585 (3) 0.2307 (2) 0.71927 (15) 0.0180 (5)
C15 0.5510 (3) 0.2253 (2) 0.54002 (15) 0.0178 (5)
H15 0.512342 0.147068 0.570548 0.021*
C16 0.7154 (3) 0.1776 (2) 0.49071 (16) 0.0269 (6)
C17 0.1635 (3) 0.2852 (2) 0.59219 (18) 0.0275 (6)
H17A 0.238670 0.226629 0.646535 0.033*
H17B 0.127708 0.232492 0.550083 0.033*
C18 0.0190 (3) 0.3634 (2) 0.63664 (18) 0.0342 (6)
H18A −0.039138 0.305605 0.678612 0.051*
H18B 0.055967 0.414975 0.678234 0.051*
H18C −0.054538 0.420814 0.582181 0.051*
C19 0.2312 (3) 0.2932 (3) 0.30282 (19) 0.0380 (7)
H19A 0.227578 0.385415 0.277641 0.046*
H19B 0.118185 0.285406 0.315925 0.046*
C20 0.3037 (3) 0.2176 (3) 0.22655 (19) 0.0418 (7)
H20A 0.237677 0.249970 0.163708 0.063*
H20B 0.415264 0.226244 0.213626 0.063*
H20C 0.306207 0.126542 0.251793 0.063*
H1 0.577 (3) 0.357 (2) 0.6099 (17) 0.017 (7)*