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. 2022 Apr 28;78(Pt 5):530–535. doi: 10.1107/S2056989022004388
x y z Uiso*/Ueq
Br1 0.07857 (2) 0.35922 (3) 0.08663 (2) 0.01718 (8)
Br2 0.02778 (2) 0.28084 (3) 0.31239 (2) 0.02246 (8)
C1 0.10911 (13) 0.3752 (3) 0.23267 (15) 0.0143 (3)
C2 0.18336 (12) 0.4450 (3) 0.27612 (15) 0.0135 (3)
C3 0.20411 (12) 0.4693 (3) 0.39184 (15) 0.0131 (3)
C4 0.26892 (13) 0.3653 (3) 0.44734 (16) 0.0151 (4)
H4 0.301935 0.282209 0.410651 0.018*
C5 0.28537 (13) 0.3827 (3) 0.55606 (16) 0.0148 (3)
H5 0.329792 0.313645 0.594394 0.018*
C6 0.23537 (13) 0.5033 (3) 0.60701 (15) 0.0141 (3)
C7 0.17169 (13) 0.6115 (3) 0.55419 (16) 0.0158 (4)
H7 0.139047 0.694455 0.591491 0.019*
C8 0.15669 (12) 0.5958 (3) 0.44533 (15) 0.0143 (3)
H8 0.114268 0.670850 0.407127 0.017*
N1 0.24975 (12) 0.5135 (2) 0.72236 (14) 0.0178 (3)
O1 0.19544 (12) 0.5861 (2) 0.76893 (13) 0.0259 (3)
O2 0.31534 (11) 0.4454 (2) 0.76654 (12) 0.0245 (3)
N2 0.23866 (11) 0.4967 (2) 0.20300 (13) 0.0153 (3)
N3 0.31074 (11) 0.5492 (3) 0.24360 (14) 0.0165 (3)
C9 0.36346 (12) 0.6039 (3) 0.16716 (15) 0.0144 (3)
C10 0.33917 (13) 0.6020 (3) 0.05795 (16) 0.0158 (4)
H10 0.285307 0.556049 0.030764 0.019*
C11 0.39360 (14) 0.6669 (3) −0.00982 (16) 0.0177 (4)
H11 0.377788 0.667540 −0.083780 0.021*
C12 0.47214 (14) 0.7314 (3) 0.03294 (17) 0.0185 (4)
C13 0.49862 (14) 0.7325 (3) 0.13950 (18) 0.0203 (4)
H13 0.553030 0.776322 0.165862 0.024*
C14 0.44330 (14) 0.6675 (3) 0.20716 (17) 0.0186 (4)
H14 0.459864 0.666418 0.280965 0.022*
F1 0.52527 (9) 0.7950 (2) −0.03383 (11) 0.0261 (3)