x | y | z | Uiso*/Ueq | ||
O1 | 0.92795 (11) | 1.07035 (6) | 0.37556 (4) | 0.01618 (12) | |
O2 | 0.40529 (12) | 0.45052 (6) | 0.71989 (4) | 0.02109 (13) | |
O3 | 0.12666 (12) | 0.41865 (6) | 0.64166 (5) | 0.02143 (13) | |
N1 | 0.78463 (12) | 0.88673 (7) | 0.50035 (5) | 0.01369 (12) | |
H1 | 0.8751 | 0.8904 | 0.5431 | 0.016* | |
N2 | 0.61923 (12) | 0.93607 (7) | 0.36748 (4) | 0.01292 (12) | |
N3 | 0.29292 (13) | 0.48382 (7) | 0.65097 (5) | 0.01591 (13) | |
C1 | 0.79248 (13) | 0.97452 (8) | 0.41127 (5) | 0.01294 (13) | |
C2 | 0.50448 (13) | 0.82444 (7) | 0.42883 (5) | 0.01255 (13) | |
C3 | 0.61268 (13) | 0.79137 (8) | 0.51286 (5) | 0.01240 (13) | |
C4 | 0.54726 (13) | 0.68061 (8) | 0.58770 (5) | 0.01379 (13) | |
H4 | 0.6229 | 0.6565 | 0.6437 | 0.017* | |
C5 | 0.36219 (13) | 0.60623 (7) | 0.57568 (5) | 0.01384 (13) | |
C6 | 0.24677 (14) | 0.63920 (8) | 0.49481 (6) | 0.01500 (13) | |
H6 | 0.1193 | 0.5860 | 0.4912 | 0.018* | |
C7 | 0.31799 (14) | 0.75013 (8) | 0.41917 (5) | 0.01431 (13) | |
H7 | 0.2421 | 0.7740 | 0.3632 | 0.017* | |
C8 | 0.56136 (14) | 1.00911 (8) | 0.27295 (5) | 0.01453 (13) | |
H8A | 0.6475 | 1.0948 | 0.2508 | 0.017* | |
H8B | 0.3804 | 1.0338 | 0.2778 | 0.017* | |
C9 | 0.63787 (14) | 0.92606 (8) | 0.19926 (5) | 0.01496 (13) | |
H9A | 0.5714 | 0.9758 | 0.1402 | 0.018* | |
H9B | 0.5589 | 0.8382 | 0.2237 | 0.018* | |
C10 | 0.91760 (14) | 0.89612 (8) | 0.17380 (5) | 0.01536 (14) | |
H10A | 0.9848 | 0.8397 | 0.2311 | 0.018* | |
H10B | 1.0005 | 0.9829 | 0.1522 | 0.018* | |
C11 | 0.97314 (15) | 0.82089 (8) | 0.09493 (6) | 0.01648 (14) | |
H11A | 0.8959 | 0.7325 | 0.1186 | 0.020* | |
H11B | 0.8936 | 0.8751 | 0.0400 | 0.020* | |
C12 | 1.24889 (15) | 0.79376 (8) | 0.06003 (6) | 0.01714 (14) | |
H12A | 1.3281 | 0.7349 | 0.1137 | 0.021* | |
H12B | 1.3293 | 0.8813 | 0.0386 | 0.021* | |
C13 | 1.29159 (14) | 0.72462 (8) | −0.02204 (6) | 0.01650 (14) | |
H13A | 1.2188 | 0.6349 | 0.0010 | 0.020* | |
H13B | 1.2018 | 0.7809 | −0.0735 | 0.020* | |
C14 | 1.56428 (15) | 0.70296 (8) | −0.06374 (6) | 0.01707 (14) | |
H14A | 1.6346 | 0.7928 | −0.0918 | 0.020* | |
H14B | 1.6575 | 0.6522 | −0.0118 | 0.020* | |
C15 | 1.59873 (15) | 0.62433 (9) | −0.14015 (6) | 0.01812 (15) | |
H15A | 1.5350 | 0.5330 | −0.1111 | 0.022* | |
H15B | 1.4981 | 0.6728 | −0.1903 | 0.022* | |
C16 | 1.86819 (17) | 0.60708 (10) | −0.18635 (7) | 0.02506 (18) | |
H16A | 1.9271 | 0.6967 | −0.2215 | 0.038* | |
H16B | 1.8795 | 0.5492 | −0.2304 | 0.038* | |
H16C | 1.9712 | 0.5643 | −0.1368 | 0.038* |