x | y | z | Uiso*/Ueq | ||
O1 | 1.00908 (19) | 0.47529 (18) | 0.35582 (9) | 0.0281 (4) | |
O2 | 0.85897 (19) | 0.47478 (17) | 0.23631 (9) | 0.0268 (4) | |
O3 | 0.5232 (2) | −0.2735 (2) | 0.39057 (11) | 0.0422 (5) | |
O4 | 0.6510 (3) | −0.2494 (3) | 0.50205 (13) | 0.0617 (7) | |
N1 | 1.0730 (2) | 0.2952 (2) | 0.25504 (10) | 0.0249 (4) | |
H1 | 1.0599 | 0.1919 | 0.2577 | 0.030* | |
C1 | 0.7998 (3) | 0.2734 (2) | 0.34181 (12) | 0.0243 (4) | |
C2 | 0.6576 (3) | 0.2247 (3) | 0.30806 (13) | 0.0253 (4) | |
H2 | 0.6285 | 0.2624 | 0.2589 | 0.030* | |
C3 | 0.5568 (3) | 0.1220 (3) | 0.34475 (13) | 0.0261 (5) | |
H3 | 0.4626 | 0.0888 | 0.3195 | 0.031* | |
C4 | 0.5932 (3) | 0.0679 (3) | 0.41775 (13) | 0.0263 (5) | |
C5 | 0.7326 (3) | 0.1174 (3) | 0.45272 (13) | 0.0296 (5) | |
H5 | 0.7589 | 0.0827 | 0.5028 | 0.035* | |
C6 | 0.8342 (3) | 0.2173 (3) | 0.41551 (13) | 0.0276 (5) | |
H6 | 0.9294 | 0.2482 | 0.4406 | 0.033* | |
C7 | 1.1685 (3) | 0.4963 (3) | 0.33084 (14) | 0.0302 (5) | |
H7A | 1.2382 | 0.5254 | 0.3744 | 0.036* | |
H7B | 1.1743 | 0.5747 | 0.2906 | 0.036* | |
C8 | 1.2172 (3) | 0.3441 (3) | 0.29856 (15) | 0.0313 (5) | |
H8A | 1.3108 | 0.3534 | 0.2641 | 0.038* | |
H8B | 1.2427 | 0.2729 | 0.3405 | 0.038* | |
C9 | 0.8982 (3) | 0.4085 (3) | 0.16438 (13) | 0.0283 (5) | |
H9A | 0.8939 | 0.4839 | 0.1226 | 0.034* | |
H9B | 0.8231 | 0.3263 | 0.1520 | 0.034* | |
C10 | 1.0671 (3) | 0.3484 (3) | 0.17388 (14) | 0.0297 (5) | |
H10A | 1.0875 | 0.2650 | 0.1376 | 0.036* | |
H10B | 1.1469 | 0.4283 | 0.1649 | 0.036* | |
C11 | 0.4878 (3) | −0.0470 (3) | 0.45767 (13) | 0.0287 (5) | |
H11A | 0.4717 | −0.0173 | 0.5120 | 0.034* | |
H11B | 0.3821 | −0.0498 | 0.4323 | 0.034* | |
C12 | 0.5624 (3) | −0.1999 (3) | 0.45463 (15) | 0.0330 (5) | |
C13 | 0.5926 (4) | −0.4222 (3) | 0.3835 (2) | 0.0499 (8) | |
H13A | 0.7093 | −0.4143 | 0.3831 | 0.060* | |
H13B | 0.5563 | −0.4686 | 0.3354 | 0.060* | |
H13C | 0.5589 | −0.4840 | 0.4272 | 0.060* | |
B1 | 0.9234 (3) | 0.3847 (3) | 0.30025 (14) | 0.0236 (5) |