x | y | z | Uiso*/Ueq | ||
N1 | 0.8952 (10) | 0.5770 (4) | 0.37825 (15) | 0.0157 (10) | |
C1 | 0.7282 (12) | 0.6745 (5) | 0.38778 (18) | 0.0154 (12) | |
H1 | 0.6759 | 0.7321 | 0.3647 | 0.018* | |
C2 | 0.6171 (12) | 0.6989 (5) | 0.43302 (17) | 0.0138 (12) | |
C3 | 0.4148 (12) | 0.8016 (5) | 0.44237 (18) | 0.0133 (12) | |
O1 | 0.3071 (9) | 0.8689 (3) | 0.40592 (12) | 0.0174 (9) | |
C4 | 0.1171 (13) | 0.9771 (4) | 0.41475 (18) | 0.0159 (12) | |
H4A | −0.0826 | 0.9525 | 0.4296 | 0.024* | |
H4B | 0.0632 | 1.0192 | 0.3865 | 0.024* | |
H4C | 0.2406 | 1.0339 | 0.4342 | 0.024* | |
C5 | 0.3327 (12) | 0.8293 (5) | 0.48586 (18) | 0.0155 (12) | |
H5 | 0.2003 | 0.8994 | 0.4919 | 0.019* | |
C6 | 0.4459 (12) | 0.7535 (5) | 0.52094 (17) | 0.0138 (12) | |
O2 | 0.3510 (9) | 0.7888 (3) | 0.56290 (11) | 0.0167 (9) | |
C7 | 0.4941 (14) | 0.7232 (5) | 0.59995 (18) | 0.0222 (13) | |
H7A | 0.4270 | 0.6357 | 0.5989 | 0.033* | |
H7B | 0.4228 | 0.7607 | 0.6280 | 0.033* | |
H7C | 0.7304 | 0.7283 | 0.5984 | 0.033* | |
C8 | 0.6428 (12) | 0.6515 (5) | 0.51264 (17) | 0.0153 (12) | |
H8 | 0.7184 | 0.5999 | 0.5364 | 0.018* | |
C9 | 0.7263 (12) | 0.6267 (5) | 0.46874 (18) | 0.0160 (12) | |
H9 | 0.8634 | 0.5578 | 0.4629 | 0.019* | |
C10 | 1.0177 (13) | 0.5654 (6) | 0.33449 (18) | 0.0169 (13) | |
C11 | 1.1201 (12) | 0.6657 (5) | 0.30882 (18) | 0.0181 (13) | |
H11 | 1.0997 | 0.7481 | 0.3200 | 0.022* | |
C12 | 1.2516 (13) | 0.6466 (5) | 0.26700 (18) | 0.0179 (12) | |
H12 | 1.3267 | 0.7153 | 0.2501 | 0.022* | |
C13 | 1.2726 (12) | 0.5278 (5) | 0.25015 (18) | 0.0164 (13) | |
Br1 | 1.44896 (13) | 0.49899 (7) | 0.192736 (17) | 0.02466 (19) | |
C14 | 1.1702 (12) | 0.4254 (5) | 0.27488 (19) | 0.0172 (12) | |
H14 | 1.1866 | 0.3432 | 0.2633 | 0.021* | |
C15 | 1.0447 (13) | 0.4469 (6) | 0.31650 (18) | 0.0176 (13) | |
H15 | 0.9738 | 0.3779 | 0.3336 | 0.021* |