Skip to main content
. 2017 Nov 28;73(Pt 12):1956–1958. doi: 10.1107/S2056989017016929
x y z Uiso*/Ueq
N1 0.3019 (3) 0.33359 (18) 0.86721 (14) 0.0648 (7)
C1 0.5958 (3) 0.31146 (14) 0.60845 (12) 0.0395 (5)
H1A 0.5204 0.3259 0.5650 0.047*
O1 0.3145 (3) 0.27719 (17) 0.91181 (14) 0.1013 (9)
N2 0.8861 (2) 0.47555 (13) 0.58612 (12) 0.0517 (6)
H2A 0.9392 0.5055 0.5600 0.062*
C2 0.5083 (3) 0.31093 (14) 0.67433 (13) 0.0394 (6)
O2 0.2403 (4) 0.39980 (19) 0.87776 (15) 0.1199 (11)
N3 0.6690 (2) 0.09119 (12) 0.55132 (10) 0.0435 (5)
H3A 0.6407 0.0442 0.5296 0.052*
O3 0.8106 (2) 0.45055 (14) 0.43699 (10) 0.0729 (6)
C3 0.4078 (3) 0.37605 (17) 0.68231 (14) 0.0546 (7)
H3B 0.3864 0.4157 0.6445 0.065*
O4 0.6050 (2) 0.37421 (13) 0.45415 (9) 0.0626 (5)
C4 0.3383 (3) 0.38418 (18) 0.74445 (15) 0.0590 (7)
H4A 0.2725 0.4291 0.7494 0.071*
O5 0.3605 (2) 0.08873 (11) 0.49279 (11) 0.0597 (5)
C5 0.3687 (3) 0.32430 (16) 0.79870 (14) 0.0485 (6)
O6 0.33771 (19) 0.22355 (10) 0.52526 (10) 0.0544 (5)
C6 0.4600 (3) 0.25512 (16) 0.79184 (14) 0.0488 (6)
H6A 0.4746 0.2137 0.8284 0.059*
C7 0.5301 (3) 0.24868 (15) 0.72855 (13) 0.0453 (6)
H7A 0.5920 0.2023 0.7226 0.054*
C8 0.7142 (3) 0.38043 (14) 0.61580 (13) 0.0413 (6)
C9 0.7960 (3) 0.41747 (15) 0.68231 (14) 0.0452 (6)
C10 0.7929 (3) 0.40819 (18) 0.75905 (14) 0.0569 (7)
H10A 0.7264 0.3696 0.7760 0.068*
C11 0.8885 (3) 0.45645 (19) 0.80769 (16) 0.0653 (8)
H11A 0.8854 0.4506 0.8581 0.078*
C12 0.9902 (3) 0.51407 (18) 0.78475 (16) 0.0610 (8)
H12A 1.0526 0.5464 0.8198 0.073*
C13 0.9999 (3) 0.52399 (16) 0.71204 (16) 0.0553 (7)
H13A 1.0699 0.5616 0.6966 0.066*
C14 0.9023 (3) 0.47627 (15) 0.66117 (14) 0.0479 (6)
C15 0.7728 (3) 0.42011 (15) 0.55827 (13) 0.0437 (6)
C16 0.7342 (3) 0.41604 (17) 0.47798 (15) 0.0518 (7)
C17 0.5564 (4) 0.3709 (3) 0.37461 (16) 0.0888 (11)
H17A 0.5529 0.4278 0.3545 0.107*
H17B 0.6304 0.3386 0.3519 0.107*
C18 0.4103 (5) 0.3332 (3) 0.3575 (2) 0.1267 (17)
H18A 0.3794 0.3330 0.3048 0.190*
H18B 0.3372 0.3649 0.3804 0.190*
H18C 0.4147 0.2761 0.3757 0.190*
C19 0.6591 (3) 0.22443 (14) 0.59271 (12) 0.0384 (5)
C20 0.8111 (3) 0.19214 (15) 0.61572 (13) 0.0431 (6)
C21 0.9467 (3) 0.22243 (18) 0.65751 (15) 0.0549 (7)
H21A 0.9506 0.2768 0.6771 0.066*
C22 1.0729 (3) 0.1716 (2) 0.66927 (17) 0.0656 (8)
H22A 1.1630 0.1920 0.6968 0.079*
C23 1.0702 (3) 0.0891 (2) 0.64087 (18) 0.0699 (9)
H23A 1.1584 0.0560 0.6499 0.084*
C24 0.9407 (3) 0.05644 (18) 0.60030 (16) 0.0593 (7)
H24A 0.9387 0.0017 0.5816 0.071*
C25 0.8115 (3) 0.10832 (16) 0.58803 (13) 0.0444 (6)
C26 0.5775 (3) 0.16072 (15) 0.55434 (12) 0.0414 (6)
C27 0.4159 (3) 0.15280 (15) 0.52078 (13) 0.0415 (6)
C28 0.1776 (3) 0.22520 (18) 0.49292 (16) 0.0582 (7)
H28A 0.1201 0.1837 0.5166 0.070*
H28B 0.1661 0.2126 0.4404 0.070*
C29 0.1216 (4) 0.3115 (2) 0.5050 (2) 0.0800 (10)
H29A 0.0149 0.3156 0.4843 0.120*
H29B 0.1797 0.3518 0.4813 0.120*
H29C 0.1340 0.3230 0.5571 0.120*