x | y | z | Uiso*/Ueq | ||
Br1 | 1.06994 (2) | 0.86479 (2) | 0.12181 (2) | 0.03353 (9) | |
C1 | 0.8126 (2) | 0.6005 (2) | 0.07781 (19) | 0.0234 (4) | |
H1A | 0.7458 | 0.6459 | 0.0216 | 0.028* | |
H1B | 0.8596 | 0.5309 | 0.0243 | 0.028* | |
C2 | 0.9469 (2) | 0.7329 (2) | 0.19069 (19) | 0.0216 (4) | |
H2 | 0.8996 | 0.7993 | 0.2477 | 0.026* | |
C3 | 1.0691 (2) | 0.6722 (2) | 0.27311 (19) | 0.0224 (4) | |
C4 | 1.1235 (3) | 0.7470 (3) | 0.4214 (2) | 0.0310 (5) | |
C5 | 1.2550 (3) | 0.6801 (4) | 0.4841 (3) | 0.0517 (7) | |
H5A | 1.2123 | 0.5653 | 0.4571 | 0.078* | |
H5B | 1.2899 | 0.7282 | 0.5794 | 0.078* | |
H5C | 1.3468 | 0.7039 | 0.4560 | 0.078* | |
C6 | 1.1885 (3) | 0.9271 (3) | 0.4661 (3) | 0.0466 (6) | |
H6A | 1.2815 | 0.9533 | 0.4399 | 0.070* | |
H6B | 1.2213 | 0.9734 | 0.5613 | 0.070* | |
H6C | 1.1042 | 0.9696 | 0.4256 | 0.070* | |
C7 | 0.9764 (3) | 0.7038 (3) | 0.4612 (2) | 0.0399 (5) | |
H7A | 0.8945 | 0.7514 | 0.4249 | 0.060* | |
H7B | 1.0095 | 0.7439 | 0.5566 | 0.060* | |
H7C | 0.9316 | 0.5886 | 0.4274 | 0.060* | |
C8 | 0.7081 (2) | 0.5042 (2) | 0.12787 (18) | 0.0214 (4) | |
C9 | 0.7162 (2) | 0.3520 (2) | 0.12133 (19) | 0.0230 (4) | |
H9 | 0.7914 | 0.3107 | 0.0881 | 0.028* | |
C10 | 0.6174 (2) | 0.2603 (2) | 0.16207 (19) | 0.0223 (4) | |
C11 | 0.5060 (2) | 0.3213 (2) | 0.21148 (19) | 0.0222 (4) | |
C12 | 0.4989 (2) | 0.4740 (2) | 0.22142 (19) | 0.0222 (4) | |
H12 | 0.4255 | 0.5165 | 0.2565 | 0.027* | |
C13 | 0.5997 (2) | 0.5642 (2) | 0.17981 (19) | 0.0221 (4) | |
C14 | 0.7250 (3) | 0.0427 (3) | 0.1048 (2) | 0.0342 (5) | |
H14A | 0.6990 | 0.0390 | 0.0145 | 0.051* | |
H14B | 0.7131 | −0.0648 | 0.1058 | 0.051* | |
H14C | 0.8361 | 0.1074 | 0.1563 | 0.051* | |
C15 | 0.3096 (3) | 0.2861 (3) | 0.3105 (3) | 0.0386 (5) | |
H15A | 0.3760 | 0.3772 | 0.3897 | 0.058* | |
H15B | 0.2506 | 0.2054 | 0.3341 | 0.058* | |
H15C | 0.2330 | 0.3198 | 0.2520 | 0.058* | |
C16 | 0.4788 (2) | 0.7768 (2) | 0.2246 (2) | 0.0292 (4) | |
H16A | 0.3724 | 0.7047 | 0.1671 | 0.044* | |
H16B | 0.4866 | 0.8811 | 0.2172 | 0.044* | |
H16C | 0.4939 | 0.7862 | 0.3151 | 0.044* | |
O1 | 1.11572 (18) | 0.56644 (17) | 0.21908 (15) | 0.0306 (3) | |
O2 | 0.61793 (17) | 0.11030 (16) | 0.15966 (15) | 0.0291 (3) | |
O3 | 0.41020 (17) | 0.22188 (16) | 0.24643 (15) | 0.0283 (3) | |
O4 | 0.60042 (16) | 0.71626 (16) | 0.18717 (15) | 0.0281 (3) |