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. 2020 Oct 6;76(Pt 11):1701–1707. doi: 10.1107/S2056989020013134
x y z Uiso*/Ueq Occ. (<1)
Cl1 0.87370 (3) 0.79426 (3) 0.44087 (2) 0.03134 (8)
O1 0.42961 (8) 0.64577 (11) 0.42646 (5) 0.03635 (19)
H1 0.401 (3) 0.576 (3) 0.3967 (11) 0.055* 0.65 (3)
O2 0.64551 (9) 0.55323 (11) 0.41332 (5) 0.0415 (2)
O3 0.85703 (9) 1.17879 (11) 0.64471 (4) 0.03715 (19)
O4 0.67137 (9) 1.12532 (11) 0.69548 (4) 0.03875 (19)
N1 0.74667 (9) 1.10600 (10) 0.64913 (4) 0.02564 (17)
N2 0.32928 (9) 0.44919 (10) 0.33444 (4) 0.02445 (16)
H2 0.364 (4) 0.521 (4) 0.3649 (17) 0.037* 0.35 (3)
C1 0.61850 (9) 0.76377 (11) 0.49454 (4) 0.02042 (16)
C2 0.75219 (9) 0.83696 (11) 0.49820 (4) 0.02126 (17)
C3 0.79336 (9) 0.95089 (11) 0.54813 (5) 0.02240 (17)
H3 0.883075 1.001906 0.549641 0.027*
C4 0.70028 (10) 0.98778 (11) 0.59541 (4) 0.02162 (17)
C5 0.56791 (10) 0.91744 (12) 0.59456 (5) 0.02394 (18)
H5 0.506368 0.944280 0.628184 0.029*
C6 0.52786 (10) 0.80690 (11) 0.54331 (5) 0.02350 (18)
H6 0.436619 0.759387 0.541313 0.028*
C7 0.56641 (10) 0.64206 (11) 0.44026 (5) 0.02361 (17)
C8 0.40800 (11) 0.39905 (13) 0.28726 (5) 0.0284 (2)
H8 0.500827 0.441308 0.287010 0.034*
C9 0.36003 (12) 0.28509 (13) 0.23709 (5) 0.0314 (2)
H9 0.418985 0.252719 0.203149 0.038*
C10 0.22700 (12) 0.22130 (12) 0.23779 (5) 0.0291 (2)
H10 0.193332 0.143923 0.204340 0.035*
C11 0.14049 (10) 0.27092 (11) 0.28827 (5) 0.02387 (18)
C12 0.00279 (11) 0.20841 (12) 0.29329 (5) 0.0285 (2)
H12 −0.034075 0.128787 0.261562 0.034*
C13 −0.07753 (11) 0.26074 (13) 0.34293 (6) 0.0294 (2)
C14 −0.02173 (11) 0.38120 (13) 0.38945 (6) 0.0299 (2)
H14 −0.078279 0.419813 0.423309 0.036*
C15 0.11154 (11) 0.44368 (12) 0.38702 (5) 0.02705 (19)
H15 0.146830 0.523118 0.419192 0.032*
C16 0.19535 (10) 0.38878 (11) 0.33634 (5) 0.02220 (17)
C17 −0.22358 (12) 0.19441 (16) 0.34909 (8) 0.0408 (3)
H17A −0.290638 0.283656 0.350772 0.061*
H17B −0.222599 0.130421 0.391184 0.061*
H17C −0.252335 0.126106 0.309332 0.061*