x | y | z | Uiso*/Ueq | ||
O1 | 0.50237 (13) | 0.39456 (17) | 0.71767 (6) | 0.0308 (3) | |
O2 | 0.67189 (14) | 0.21899 (18) | 0.87378 (7) | 0.0335 (4) | |
N1 | 1.07016 (15) | 0.9376 (2) | 0.37941 (8) | 0.0265 (4) | |
N2 | 0.91403 (15) | 1.1341 (2) | 0.37934 (8) | 0.0277 (4) | |
N3 | 0.56182 (15) | 0.3846 (2) | 0.60950 (7) | 0.0272 (4) | |
N4 | 0.65832 (16) | 0.2730 (2) | 0.60375 (8) | 0.0350 (4) | |
N5 | 0.73569 (16) | 0.3493 (2) | 0.56742 (8) | 0.0331 (4) | |
C1 | 0.95442 (18) | 0.9778 (2) | 0.39886 (9) | 0.0252 (4) | |
C2 | 1.10804 (18) | 1.0777 (2) | 0.34516 (9) | 0.0265 (4) | |
C3 | 1.21525 (18) | 1.1085 (3) | 0.31418 (10) | 0.0317 (5) | |
H3A | 1.2823 | 1.0256 | 0.3148 | 0.038* | |
C4 | 1.2198 (2) | 1.2654 (3) | 0.28242 (10) | 0.0350 (5) | |
H4A | 1.2918 | 1.2912 | 0.2608 | 0.042* | |
C5 | 1.12061 (19) | 1.3873 (3) | 0.28139 (10) | 0.0343 (5) | |
H5A | 1.1267 | 1.4936 | 0.2589 | 0.041* | |
C6 | 1.01424 (19) | 1.3565 (3) | 0.31228 (9) | 0.0310 (5) | |
H6A | 0.9471 | 1.4393 | 0.3112 | 0.037* | |
C7 | 1.00880 (17) | 1.1996 (2) | 0.34504 (9) | 0.0257 (4) | |
C8 | 0.88408 (17) | 0.8577 (2) | 0.43576 (9) | 0.0253 (4) | |
C9 | 0.91089 (18) | 0.6817 (2) | 0.43692 (9) | 0.0283 (5) | |
H9A | 0.9749 | 0.6389 | 0.4127 | 0.034* | |
C10 | 0.84603 (18) | 0.5686 (2) | 0.47263 (9) | 0.0268 (4) | |
H10A | 0.8647 | 0.4491 | 0.4721 | 0.032* | |
C11 | 0.75345 (18) | 0.6289 (2) | 0.50939 (9) | 0.0258 (4) | |
C12 | 0.72431 (18) | 0.8045 (3) | 0.50722 (9) | 0.0288 (5) | |
H12A | 0.6595 | 0.8469 | 0.5310 | 0.035* | |
C13 | 0.78828 (18) | 0.9175 (3) | 0.47105 (9) | 0.0289 (5) | |
H13A | 0.7671 | 1.0364 | 0.4701 | 0.035* | |
C14 | 0.68875 (18) | 0.5107 (2) | 0.55019 (9) | 0.0256 (4) | |
C15 | 0.57733 (18) | 0.5326 (2) | 0.57719 (9) | 0.0265 (4) | |
H15A | 0.5229 | 0.6312 | 0.5738 | 0.032* | |
C16 | 0.46450 (19) | 0.3426 (3) | 0.65116 (9) | 0.0302 (5) | |
H16A | 0.3817 | 0.3995 | 0.6326 | 0.036* | |
H16B | 0.4495 | 0.2168 | 0.6499 | 0.036* | |
C17 | 0.59651 (18) | 0.2857 (2) | 0.75702 (9) | 0.0288 (4) | |
H17A | 0.6829 | 0.3018 | 0.7438 | 0.035* | |
H17B | 0.5713 | 0.1634 | 0.7505 | 0.035* | |
C18 | 0.59977 (19) | 0.3374 (3) | 0.82907 (10) | 0.0334 (5) | |
H18A | 0.6391 | 0.4531 | 0.8364 | 0.040* | |
H18B | 0.5099 | 0.3439 | 0.8387 | 0.040* | |
H1A | 1.118 (2) | 0.846 (3) | 0.3930 (10) | 0.040 (6)* | |
H2A | 0.756 (3) | 0.258 (3) | 0.8779 (12) | 0.068 (8)* |