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) |