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. 2022 Jun 7;78(Pt 7):682–686. doi: 10.1107/S2056989022005643
x y z Uiso*/Ueq
Br1 −0.08475 (4) 0.81672 (3) 0.00562 (2) 0.02904 (7)
Br2 0.48472 (4) 0.08778 (3) 0.11939 (2) 0.03302 (8)
O1 0.5485 (3) 0.6991 (2) 0.19580 (10) 0.0223 (3)
O2 0.8281 (3) 0.4838 (2) 0.16971 (12) 0.0300 (4)
C1 0.4550 (3) 0.6259 (3) 0.15806 (14) 0.0180 (4)
C2 0.3764 (3) 0.7009 (3) 0.09361 (13) 0.0177 (4)
H2 0.3906 0.7927 0.0756 0.021*
C3 0.2757 (3) 0.6375 (3) 0.05580 (13) 0.0168 (4)
C4 0.2561 (3) 0.5002 (3) 0.08395 (14) 0.0183 (4)
H4 0.1896 0.4570 0.0587 0.022*
C5 0.3346 (3) 0.4268 (3) 0.14936 (14) 0.0189 (4)
C6 0.4351 (3) 0.4903 (3) 0.18721 (14) 0.0190 (4)
H6 0.4879 0.4425 0.2312 0.023*
C7 0.7388 (4) 0.6174 (3) 0.19617 (14) 0.0204 (4)
C8 0.8159 (4) 0.7190 (3) 0.23218 (15) 0.0262 (5)
H8A 0.9257 0.6518 0.2548 0.039*
H8B 0.7203 0.7887 0.2725 0.039*
H8C 0.8515 0.7817 0.1925 0.039*
C9 0.1944 (3) 0.7141 (3) −0.01535 (14) 0.0221 (5)
H9A 0.2349 0.6337 −0.0575 0.026*
H9B 0.2432 0.7937 −0.0326 0.026*
C10 0.3063 (4) 0.2828 (3) 0.18047 (17) 0.0258 (5)
H10A 0.1767 0.2972 0.1783 0.031*
H10B 0.3249 0.2712 0.2351 0.031*
Br1A 0.43346 (3) 0.44424 (3) 0.61006 (2) 0.02337 (6)
Br2A 0.92345 (4) −0.40729 (3) 0.60976 (2) 0.02744 (7)
O1A 0.9262 (3) 0.0059 (2) 0.34359 (11) 0.0285 (4)
O2A 0.6523 (3) 0.1522 (3) 0.30204 (12) 0.0443 (6)
C1A 0.8337 (3) 0.0113 (3) 0.42092 (14) 0.0200 (4)
C2A 0.7921 (3) 0.1409 (3) 0.47025 (16) 0.0219 (5)
H2A 0.8118 0.2296 0.4509 0.026*
C3A 0.7203 (3) 0.1375 (3) 0.54912 (15) 0.0210 (5)
C4A 0.6907 (3) 0.0042 (3) 0.57655 (14) 0.0192 (4)
H4A 0.6413 0.0022 0.6292 0.023*
C5A 0.7340 (3) −0.1266 (3) 0.52649 (13) 0.0171 (4)
C6A 0.8055 (3) −0.1220 (3) 0.44763 (13) 0.0178 (4)
H6A 0.8340 −0.2079 0.4133 0.021*
C7A 0.8205 (4) 0.0866 (3) 0.28849 (14) 0.0219 (5)
C8A 0.9420 (4) 0.0791 (4) 0.21112 (16) 0.0317 (6)
H8A1 0.9001 0.0369 0.1712 0.048*
H8A2 1.0722 0.0109 0.2145 0.048*
H8A3 0.9317 0.1846 0.1980 0.048*
C9A 0.6879 (4) 0.2709 (3) 0.60537 (19) 0.0323 (6)
H9A1 0.7829 0.3134 0.5893 0.039*
H9A2 0.7036 0.2291 0.6574 0.039*
C10A 0.7074 (3) −0.2710 (3) 0.55685 (15) 0.0225 (5)
H10C 0.6986 −0.3315 0.5136 0.027*
H10D 0.5896 −0.2386 0.5938 0.027*