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. 2018 Nov 30;74(Pt 12):1919–1922. doi: 10.1107/S2056989018016754
x y z Uiso*/Ueq
O1 0.1843 (5) 0.2454 (3) 0.36727 (18) 0.0573 (8)
O2 −0.1120 (5) 0.0785 (3) 0.21803 (19) 0.0672 (10)
O3 −0.2533 (6) −0.2488 (4) 0.16208 (19) 0.0661 (10)
O4 0.6234 (7) 0.1389 (5) 0.6784 (2) 0.0999 (13)
N1 0.5537 (7) 0.3888 (5) 0.3540 (2) 0.0666 (11)
N2 0.4067 (7) 0.3864 (5) 0.2876 (2) 0.0679 (12)
N3 −1.0776 (8) −0.3032 (5) −0.0393 (3) 0.0818 (14)
C1 0.3016 (9) 0.1713 (6) 0.5111 (3) 0.0746 (15)
H1 0.145930 0.131974 0.490115 0.089*
C2 0.3548 (10) 0.1334 (7) 0.5810 (3) 0.0810 (17)
H2 0.235535 0.069914 0.606852 0.097*
C3 0.5834 (10) 0.1892 (7) 0.6124 (3) 0.0737 (15)
C4 0.7621 (9) 0.2890 (7) 0.5738 (3) 0.0744 (15)
H4 0.917781 0.329479 0.594902 0.089*
C5 0.7024 (9) 0.3258 (6) 0.5045 (3) 0.0734 (14)
H5 0.820509 0.392725 0.479518 0.088*
C6 0.4759 (7) 0.2674 (5) 0.4710 (3) 0.0534 (11)
C7 0.4163 (7) 0.3047 (5) 0.3975 (3) 0.0563 (12)
C8 0.1976 (8) 0.3015 (5) 0.2998 (3) 0.0510 (11)
C9 −0.0194 (8) 0.2584 (5) 0.2476 (3) 0.0617 (13)
H9A −0.132615 0.297492 0.277473 0.074*
H9B 0.015621 0.314695 0.203787 0.074*
C10 −0.3104 (7) 0.0114 (5) 0.1662 (3) 0.0524 (11)
C11 −0.4371 (8) 0.1049 (5) 0.1460 (3) 0.0559 (12)
H11 −0.387569 0.222949 0.167178 0.067*
C12 −0.6385 (8) 0.0239 (6) 0.0940 (3) 0.0572 (12)
H12 −0.723785 0.087491 0.080049 0.069*
C13 −0.7123 (8) −0.1506 (6) 0.0632 (2) 0.0531 (11)
C14 −0.5881 (7) −0.2481 (5) 0.0840 (2) 0.0545 (12)
H14 −0.640032 −0.366455 0.063238 0.065*
C15 −0.3888 (8) −0.1680 (5) 0.1354 (3) 0.0545 (12)
C16 0.8476 (11) 0.1995 (8) 0.7151 (4) 0.110 (2)
H16A 0.939257 0.139919 0.684979 0.165*
H16B 0.842598 0.180561 0.767860 0.165*
H16C 0.917417 0.320492 0.718006 0.165*
C17 −0.9170 (9) −0.2349 (6) 0.0064 (3) 0.0621 (13)
C18 −0.3336 (9) −0.4316 (5) 0.1354 (3) 0.0741 (15)
H18A −0.454760 −0.482003 0.166887 0.111*
H18B −0.205201 −0.471141 0.140725 0.111*
H18C −0.394768 −0.464801 0.080479 0.111*