Skip to main content
. 2011 Apr 13;67(Pt 5):o1107. doi: 10.1107/S1600536811010944
x y z Uiso*/Ueq
C1 0.21139 (18) 0.57501 (13) 1.19989 (14) 0.0463 (4)
C2 0.13466 (18) 0.48762 (12) 1.24574 (13) 0.0436 (4)
C3 0.13127 (19) 0.50961 (13) 1.35921 (14) 0.0492 (4)
C4 0.06725 (18) 0.38172 (12) 1.18533 (13) 0.0463 (4)
H4 0.0150 0.3265 1.2146 0.056*
C5 0.07300 (18) 0.35191 (12) 1.08046 (13) 0.0443 (4)
C6 0.15295 (17) 0.43610 (12) 1.03866 (13) 0.0426 (4)
C7 0.17389 (18) 0.41745 (13) 0.93993 (14) 0.0494 (4)
H7 0.2289 0.4764 0.9159 0.059*
C8 0.11153 (18) 0.30841 (13) 0.87521 (13) 0.0484 (4)
C9 0.02840 (19) 0.22172 (13) 0.91645 (14) 0.0524 (4)
H9 −0.0144 0.1489 0.8754 0.063*
C10 0.01086 (19) 0.24390 (13) 1.01450 (14) 0.0516 (4)
H10 −0.0443 0.1855 1.0391 0.062*
C11 0.0769 (2) 0.17291 (15) 0.71424 (16) 0.0645 (5)
H11A 0.0960 0.1239 0.7666 0.077*
H11B 0.1411 0.1699 0.6698 0.077*
C12 −0.0988 (2) 0.13259 (17) 0.63824 (16) 0.0768 (6)
H12A −0.1625 0.1375 0.6817 0.115*
H12B −0.1295 0.0565 0.6013 0.115*
H12C −0.1168 0.1780 0.5832 0.115*
C13 0.2090 (2) 0.37670 (15) 0.72996 (15) 0.0640 (5)
H13A 0.1828 0.4430 0.7462 0.077*
H13B 0.1687 0.3532 0.6491 0.077*
C14 0.3890 (2) 0.40375 (17) 0.77862 (19) 0.0777 (6)
H14A 0.4301 0.4333 0.8577 0.116*
H14B 0.4371 0.4580 0.7430 0.116*
H14C 0.4149 0.3373 0.7662 0.116*
C15 0.2466 (2) 0.11381 (14) 1.16812 (14) 0.0526 (4)
C16 0.36577 (19) 0.22392 (14) 1.21170 (14) 0.0506 (4)
C17 0.3901 (2) 0.29587 (15) 1.31736 (15) 0.0556 (4)
C18 0.4607 (2) 0.26342 (14) 1.15444 (14) 0.0544 (4)
H18 0.5359 0.3349 1.1819 0.065*
C19 0.44932 (19) 0.20030 (13) 1.05563 (14) 0.0493 (4)
C20 0.33527 (18) 0.09381 (13) 1.01525 (13) 0.0466 (4)
C21 0.31367 (19) 0.02453 (13) 0.92049 (14) 0.0512 (4)
H21 0.2345 −0.0454 0.8962 0.061*
C22 0.41151 (19) 0.05924 (13) 0.85967 (14) 0.0494 (4)
C23 0.5282 (2) 0.16798 (14) 0.90010 (14) 0.0547 (4)
H23 0.5936 0.1939 0.8614 0.066*
C24 0.5454 (2) 0.23412 (14) 0.99384 (15) 0.0571 (4)
H24 0.6236 0.3045 1.0184 0.069*
C25 0.4975 (2) 0.02687 (16) 0.70252 (16) 0.0687 (5)
H25A 0.5055 −0.0386 0.6639 0.082*
H25B 0.6054 0.0717 0.7547 0.082*
C26 0.4354 (3) 0.09271 (17) 0.61840 (16) 0.0806 (6)
H26A 0.3285 0.0490 0.5663 0.121*
H26B 0.5055 0.1117 0.5786 0.121*
H26C 0.4322 0.1596 0.6563 0.121*
C27 0.2699 (2) −0.11834 (14) 0.72177 (16) 0.0646 (5)
H27A 0.2679 −0.1551 0.7837 0.078*
H27B 0.2989 −0.1627 0.6727 0.078*
C28 0.1023 (2) −0.11651 (16) 0.65768 (16) 0.0717 (5)
H28A 0.0664 −0.0811 0.7077 0.108*
H28B 0.0299 −0.1915 0.6253 0.108*
H28C 0.1040 −0.0758 0.5992 0.108*
N1 0.12851 (17) 0.28688 (11) 0.77682 (12) 0.0596 (4)
N2 0.19388 (19) 0.61432 (12) 1.41508 (12) 0.0581 (4)
H2 0.231 (2) 0.6657 (13) 1.3829 (16) 0.087*
N3 0.1989 (2) 0.64809 (13) 1.52280 (14) 0.0672 (4)
H3B 0.268 (2) 0.6211 (18) 1.5658 (15) 0.101*
H3A 0.1032 (15) 0.6189 (17) 1.5226 (19) 0.101*
N4 0.39535 (17) −0.00890 (12) 0.76634 (12) 0.0579 (4)
N5 0.3063 (2) 0.25209 (14) 1.37695 (14) 0.0663 (4)
H5 0.241 (2) 0.1841 (10) 1.3507 (18) 0.099*
N6 0.3254 (2) 0.30988 (17) 1.48147 (15) 0.0782 (5)
H6B 0.270 (3) 0.3544 (18) 1.470 (2) 0.117*
H6A 0.4263 (14) 0.3504 (18) 1.5136 (19) 0.117*
O1 0.21779 (13) 0.54484 (8) 1.09751 (9) 0.0493 (3)
O2 0.27280 (15) 0.67378 (9) 1.24139 (10) 0.0638 (3)
O3 0.07200 (17) 0.43205 (10) 1.39865 (11) 0.0697 (4)
O4 0.23680 (13) 0.05352 (9) 1.07136 (9) 0.0542 (3)
O5 0.15179 (15) 0.06693 (10) 1.20795 (11) 0.0694 (4)
O6 0.48723 (17) 0.39132 (11) 1.34921 (11) 0.0751 (4)