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. 2019 Oct 31;75(Pt 11):1734–1737. doi: 10.1107/S2056989019014130
x y z Uiso*/Ueq
O1 0.7518 (3) 0.88682 (19) 0.99156 (15) 0.0601 (5)
O3 0.4960 (3) 0.58008 (19) 0.11563 (16) 0.0614 (5)
O2 0.1290 (3) 0.7317 (2) 0.05778 (16) 0.0636 (5)
H2 0.016474 0.786724 0.044599 0.095*
N1 0.4947 (3) 0.9323 (2) 0.85757 (17) 0.0525 (5)
H1 0.429651 0.995567 0.896673 0.063*
N2 0.3918 (3) 0.9139 (2) 0.75870 (17) 0.0519 (5)
C9 0.3982 (4) 0.6576 (2) 0.1986 (2) 0.0497 (6)
C5 0.3927 (4) 0.8291 (3) 0.5807 (2) 0.0506 (6)
H5 0.252921 0.878478 0.572201 0.061*
C1 0.6829 (4) 0.8631 (3) 0.8987 (2) 0.0492 (6)
C4 0.5043 (4) 0.8412 (2) 0.6851 (2) 0.0472 (6)
C8 0.4803 (4) 0.6645 (3) 0.3066 (2) 0.0521 (6)
H8 0.616062 0.614251 0.326018 0.062*
C11 0.0780 (4) 0.8118 (3) 0.2494 (2) 0.0538 (6)
H11 −0.059111 0.860442 0.230853 0.065*
C7 0.3664 (4) 0.7445 (2) 0.3875 (2) 0.0496 (6)
C10 0.1954 (4) 0.7364 (2) 0.1681 (2) 0.0487 (6)
C6 0.4707 (4) 0.7544 (3) 0.4962 (2) 0.0549 (6)
H6 0.607897 0.702171 0.507391 0.066*
C12 0.1607 (4) 0.8164 (3) 0.3580 (2) 0.0552 (6)
H12 0.078822 0.867751 0.411814 0.066*
C13 0.7007 (4) 0.4965 (3) 0.1419 (3) 0.0614 (7)
H13A 0.745228 0.441469 0.079994 0.092*
H13B 0.682204 0.430200 0.222071 0.092*
H13C 0.812721 0.561367 0.141331 0.092*
C2 0.7972 (5) 0.7565 (3) 0.8299 (3) 0.0694 (8)
H2A 0.761992 0.658432 0.875007 0.083*
H2B 0.956271 0.761159 0.827335 0.083*
C3 0.7375 (4) 0.7807 (3) 0.7002 (2) 0.0673 (8)
H3A 0.836608 0.847839 0.645178 0.081*
H3B 0.760060 0.688125 0.675416 0.081*