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. 2021 Jul 23;77(Pt 8):824–828. doi: 10.1107/S2056989021007416
x y z Uiso*/Ueq
O1 0.79130 (8) 0.56932 (5) 0.29079 (6) 0.03386 (17)
O2 0.15346 (8) 0.39853 (5) 0.36012 (6) 0.03159 (16)
O3 0.34027 (8) 0.35057 (5) 0.26450 (5) 0.02547 (14)
N1 0.63622 (8) 0.63640 (5) 0.39987 (5) 0.01811 (12)
C1 0.49088 (9) 0.64053 (5) 0.44357 (5) 0.01656 (13)
C2 0.46483 (10) 0.71713 (6) 0.50694 (6) 0.02098 (14)
H2 0.544815 0.766658 0.518906 0.025*
C3 0.32280 (11) 0.72050 (6) 0.55192 (6) 0.02469 (16)
H3 0.306866 0.771800 0.595567 0.030*
C4 0.20287 (10) 0.64925 (7) 0.53375 (6) 0.02508 (16)
H4 0.106080 0.651845 0.565229 0.030*
C5 0.22538 (10) 0.57466 (6) 0.46961 (6) 0.02108 (14)
H5 0.142234 0.527154 0.456509 0.025*
C6 0.36952 (9) 0.56798 (5) 0.42340 (5) 0.01629 (13)
C7 0.40167 (8) 0.49162 (5) 0.35579 (5) 0.01659 (13)
C8 0.54184 (9) 0.49270 (6) 0.31341 (6) 0.02043 (14)
H8 0.560136 0.442273 0.269253 0.025*
C9 0.66584 (10) 0.56733 (6) 0.33219 (6) 0.02148 (15)
C10 0.76472 (10) 0.71018 (6) 0.42091 (6) 0.02241 (15)
H10A 0.775440 0.725750 0.490720 0.027*
H10B 0.870536 0.683646 0.405222 0.027*
C11 0.72727 (11) 0.79935 (6) 0.36498 (7) 0.02598 (17)
C12 0.69298 (13) 0.87027 (8) 0.31880 (9) 0.0356 (2)
H12 0.665529 0.927061 0.281827 0.043*
C13 0.28317 (9) 0.41024 (5) 0.32886 (6) 0.01886 (14)
C14 0.23208 (11) 0.27253 (7) 0.22635 (6) 0.02652 (17)
H14A 0.266692 0.250123 0.164117 0.032*
H14B 0.119369 0.298095 0.213628 0.032*
C15 0.23223 (10) 0.18782 (6) 0.29404 (6) 0.02316 (15)
C16 0.36596 (12) 0.12502 (8) 0.30625 (7) 0.0318 (2)
H16 0.457268 0.135594 0.271197 0.038*
C17 0.36579 (17) 0.04679 (9) 0.36979 (9) 0.0430 (3)
H17 0.457907 0.004905 0.378888 0.052*
C18 0.2320 (2) 0.02998 (9) 0.41959 (9) 0.0502 (3)
H18 0.232480 −0.023368 0.462895 0.060*
C19 0.09713 (18) 0.09064 (9) 0.40660 (9) 0.0442 (3)
H19 0.004674 0.078535 0.440243 0.053*
C20 0.09774 (12) 0.16940 (7) 0.34402 (7) 0.02989 (19)
H20 0.005332 0.211073 0.335298 0.036*