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. 2021 Oct 21;77(Pt 11):1135–1139. doi: 10.1107/S2056989021010689
x y z Uiso*/Ueq
C1 1.2514 (5) 0.7762 (5) 0.1396 (3) 0.0712 (11)
H1A 1.242455 0.690853 0.068934 0.107*
H1B 1.283901 0.870031 0.124947 0.107*
H1C 1.365551 0.776131 0.19115 0.107*
C2 1.0513 (4) 0.8911 (3) 0.2981 (2) 0.0429 (6)
H2A 1.085517 0.986567 0.284191 0.051*
H2B 1.167221 0.892502 0.350502 0.051*
C3 0.8371 (4) 0.8786 (3) 0.3512 (2) 0.0428 (6)
H3A 0.847548 0.963711 0.423379 0.051*
H3B 0.722435 0.883465 0.301016 0.051*
C4 0.7745 (4) 0.6017 (3) 0.2629 (2) 0.0432 (6)
H4A 0.656473 0.596833 0.210215 0.052*
H4B 0.745692 0.506984 0.277895 0.052*
C5 0.9887 (4) 0.6188 (3) 0.2099 (2) 0.0424 (6)
H5A 1.10447 0.614721 0.259906 0.051*
H5B 0.980005 0.534325 0.137531 0.051*
C6 0.6076 (4) 0.2567 (3) 0.3636 (2) 0.0296 (5)
C7 0.6850 (4) 0.1909 (3) 0.2577 (2) 0.0339 (5)
H7 0.812059 0.153084 0.253927 0.041*
C8 0.5770 (4) 0.1804 (3) 0.1574 (2) 0.0355 (5)
H8 0.629598 0.134593 0.086951 0.043*
C9 0.3881 (4) 0.2396 (3) 0.1635 (2) 0.0312 (5)
C10 0.3100 (4) 0.3057 (3) 0.2684 (2) 0.0332 (5)
H10 0.184232 0.345025 0.272511 0.04*
C11 0.4189 (4) 0.3135 (3) 0.3679 (2) 0.0336 (5)
H11 0.364548 0.357276 0.438151 0.04*
C12 0.7285 (4) 0.2674 (3) 0.4722 (2) 0.0345 (5)
I1 0.22668 (3) 0.23210 (2) 0.01333 (2) 0.03947 (7)
N1 1.0417 (3) 0.7631 (3) 0.19094 (18) 0.0384 (5)
N2 0.7815 (3) 0.7327 (3) 0.37083 (19) 0.0393 (5)
O1 0.6295 (3) 0.2895 (3) 0.56080 (16) 0.0567 (6)
O2 0.9237 (3) 0.2528 (3) 0.46569 (16) 0.0467 (5)
H21 0.876 (4) 0.728 (4) 0.420 (2) 0.056*
H22 0.653 (4) 0.728 (4) 0.400 (3) 0.056*