x | y | z | Uiso*/Ueq | ||
P1 | 0.63065 (6) | 0.29509 (4) | 0.74005 (3) | 0.03236 (14) | |
O1 | 0.51586 (18) | 0.19464 (11) | 0.75316 (9) | 0.0416 (3) | |
O2 | 0.80539 (18) | 0.26553 (13) | 0.70112 (9) | 0.0415 (3) | |
O3 | 0.67933 (17) | 0.36408 (13) | 0.81677 (8) | 0.0383 (3) | |
O4 | 0.41385 (17) | 0.46364 (12) | 0.71762 (9) | 0.0400 (3) | |
H4O | 0.4448 | 0.5337 | 0.7241 | 0.060* | |
O5 | 0.3878 (4) | 0.49342 (19) | 0.51776 (13) | 0.0848 (7) | |
O6 | 0.1751 (3) | 0.4227 (2) | 0.58457 (14) | 0.0861 (7) | |
N1 | 0.3262 (3) | 0.4256 (2) | 0.56573 (14) | 0.0608 (6) | |
C1 | 0.9313 (3) | 0.18894 (18) | 0.74033 (13) | 0.0438 (5) | |
H1 | 0.8736 | 0.1412 | 0.7821 | 0.053* | |
C2 | 0.9985 (4) | 0.1089 (3) | 0.67718 (17) | 0.0706 (8) | |
H2A | 0.9051 | 0.0617 | 0.6556 | 0.106* | |
H2B | 1.0849 | 0.0567 | 0.6998 | 0.106* | |
H2C | 1.0495 | 0.1560 | 0.6348 | 0.106* | |
C3 | 1.0653 (3) | 0.2668 (2) | 0.7782 (2) | 0.0656 (8) | |
H3A | 1.0121 | 0.3162 | 0.8187 | 0.098* | |
H3B | 1.1173 | 0.3168 | 0.7377 | 0.098* | |
H3C | 1.1530 | 0.2175 | 0.8026 | 0.098* | |
C4 | 0.5800 (3) | 0.3614 (2) | 0.89018 (13) | 0.0551 (6) | |
H4 | 0.4659 | 0.3254 | 0.8803 | 0.066* | |
C5 | 0.5601 (6) | 0.4848 (3) | 0.91703 (18) | 0.0879 (11) | |
H5A | 0.4970 | 0.5295 | 0.8771 | 0.132* | |
H5B | 0.6726 | 0.5202 | 0.9246 | 0.132* | |
H5C | 0.4976 | 0.4862 | 0.9671 | 0.132* | |
C6 | 0.6764 (7) | 0.2898 (3) | 0.94900 (18) | 0.1056 (15) | |
H6A | 0.6874 | 0.2089 | 0.9296 | 0.158* | |
H6B | 0.6152 | 0.2896 | 0.9995 | 0.158* | |
H6C | 0.7897 | 0.3238 | 0.9565 | 0.158* | |
C7 | 0.5409 (2) | 0.40550 (16) | 0.67209 (11) | 0.0336 (4) | |
C8 | 0.4436 (3) | 0.33911 (18) | 0.60636 (12) | 0.0419 (5) | |
H8 | 0.3722 | 0.2770 | 0.6318 | 0.050* | |
C9 | 0.5556 (4) | 0.2804 (2) | 0.54440 (13) | 0.0558 (6) | |
H9A | 0.4838 | 0.2406 | 0.5053 | 0.084* | |
H9B | 0.6299 | 0.2227 | 0.5700 | 0.084* | |
H9C | 0.6251 | 0.3401 | 0.5179 | 0.084* | |
C10 | 0.6767 (3) | 0.49079 (18) | 0.64308 (14) | 0.0430 (5) | |
H10A | 0.7312 | 0.5287 | 0.6885 | 0.065* | |
H10B | 0.6239 | 0.5509 | 0.6095 | 0.065* | |
H10C | 0.7623 | 0.4477 | 0.6125 | 0.065* |