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. 2020 Oct 16;76(Pt 11):1752–1756. doi: 10.1107/S2056989020013523
x y z Uiso*/Ueq
F1 1.02797 (8) 0.44945 (10) 0.19056 (8) 0.0387 (2)
F2 0.91945 (11) 0.63911 (8) 0.13936 (9) 0.0398 (2)
F3 0.80545 (8) 0.45876 (7) 0.06062 (7) 0.02763 (17)
O1 0.62864 (9) 0.36976 (7) 0.76271 (8) 0.02126 (17)
H1 0.572 (2) 0.365 (2) 0.838 (2) 0.056 (6)*
O2 0.57174 (9) 0.58725 (7) 0.74769 (8) 0.02259 (17)
N 0.69746 (10) 0.60686 (8) 0.49521 (9) 0.01815 (18)
C1 0.62637 (11) 0.48809 (9) 0.70248 (10) 0.01643 (18)
C2 0.70005 (11) 0.48977 (9) 0.56536 (10) 0.01547 (18)
C3 0.76396 (12) 0.37599 (9) 0.51689 (11) 0.01936 (19)
H3A 0.762813 0.29467 0.569519 0.023*
C4 0.82968 (12) 0.38369 (10) 0.38964 (11) 0.0205 (2)
H4A 0.87462 0.307748 0.353174 0.025*
C5 0.82825 (11) 0.50451 (10) 0.31708 (11) 0.01741 (19)
C6 0.76044 (12) 0.61375 (10) 0.37220 (11) 0.01917 (19)
H6A 0.758767 0.695976 0.32085 0.023*
C7 0.89493 (12) 0.51403 (10) 0.17683 (11) 0.0210 (2)
O1W 0.46520 (10) 0.34230 (8) 0.96069 (9) 0.02433 (18)
H2W 0.469 (2) 0.3734 (17) 1.043 (2) 0.040 (5)*
H1W 0.4241 (19) 0.2651 (19) 0.9607 (19) 0.043 (5)*