x | y | z | Uiso*/Ueq | ||
Br1 | 0.32584 (4) | 0.344013 (10) | 0.411244 (11) | 0.02530 (7) | |
O1 | 0.9073 (2) | 0.51056 (7) | 0.74450 (8) | 0.0213 (3) | |
C1 | 0.7274 (4) | 0.41439 (9) | 0.62533 (11) | 0.0201 (4) | |
H1A | 0.8800 | 0.4043 | 0.6552 | 0.024* | |
C2 | 0.6526 (4) | 0.37631 (10) | 0.55484 (12) | 0.0219 (4) | |
H2A | 0.7530 | 0.3408 | 0.5374 | 0.026* | |
C3 | 0.4261 (4) | 0.39203 (9) | 0.51095 (10) | 0.0180 (4) | |
C4 | 0.2711 (4) | 0.44314 (10) | 0.53719 (11) | 0.0206 (4) | |
H4A | 0.1176 | 0.4523 | 0.5075 | 0.025* | |
C5 | 0.3464 (3) | 0.48075 (10) | 0.60836 (10) | 0.0184 (4) | |
H5A | 0.2419 | 0.5149 | 0.6267 | 0.022* | |
C6 | 0.5781 (3) | 0.46766 (9) | 0.65244 (10) | 0.0152 (3) | |
C7 | 0.6813 (3) | 0.51052 (9) | 0.72478 (10) | 0.0159 (3) | |
C8 | 0.5083 (3) | 0.55087 (9) | 0.77158 (10) | 0.0159 (3) | |
H8A | 0.3374 | 0.5499 | 0.7555 | 0.019* | |
C9 | 0.5978 (3) | 0.58858 (9) | 0.83690 (10) | 0.0161 (3) | |
H9A | 0.7707 | 0.5920 | 0.8471 | 0.019* | |
C10 | 0.4492 (3) | 0.62533 (9) | 0.89440 (10) | 0.0158 (3) | |
C11 | 0.5151 (3) | 0.61533 (9) | 0.98020 (10) | 0.0157 (3) | |
C12 | 0.7151 (4) | 0.57046 (10) | 1.01164 (11) | 0.0195 (4) | |
H12A | 0.8015 | 0.5452 | 0.9749 | 0.023* | |
C13 | 0.7822 (4) | 0.56385 (10) | 1.09428 (11) | 0.0219 (4) | |
H13A | 0.9149 | 0.5349 | 1.1132 | 0.026* | |
C14 | 0.6506 (4) | 0.60082 (10) | 1.15145 (11) | 0.0220 (4) | |
H14A | 0.7002 | 0.5970 | 1.2076 | 0.026* | |
C15 | 0.4527 (4) | 0.64183 (10) | 1.12478 (11) | 0.0224 (4) | |
H15A | 0.3652 | 0.6648 | 1.1631 | 0.027* | |
C16 | 0.3767 (3) | 0.65030 (9) | 1.03860 (10) | 0.0169 (3) | |
C17 | 0.1715 (4) | 0.69108 (9) | 1.01020 (10) | 0.0187 (4) | |
H17A | 0.0769 | 0.7118 | 1.0482 | 0.022* | |
C18 | 0.1036 (3) | 0.70178 (9) | 0.92633 (10) | 0.0167 (3) | |
C19 | −0.1040 (4) | 0.74534 (9) | 0.89840 (11) | 0.0196 (4) | |
H19A | −0.2054 | 0.7629 | 0.9365 | 0.023* | |
C20 | −0.1560 (4) | 0.76158 (9) | 0.81740 (11) | 0.0211 (4) | |
H20A | −0.2925 | 0.7898 | 0.8002 | 0.025* | |
C21 | −0.0008 (4) | 0.73530 (9) | 0.75909 (11) | 0.0205 (4) | |
H21A | −0.0309 | 0.7487 | 0.7041 | 0.025* | |
C22 | 0.1913 (3) | 0.69077 (9) | 0.78224 (10) | 0.0184 (4) | |
H22A | 0.2862 | 0.6730 | 0.7424 | 0.022* | |
C23 | 0.2504 (3) | 0.67066 (9) | 0.86689 (10) | 0.0153 (3) |