Skip to main content
. 2015 Oct 7;71(Pt 11):1290–1295. doi: 10.1107/S2056989015018435
x y z Uiso*/Ueq
O1 −0.33398 (8) 0.30866 (3) 0.77777 (6) 0.02333 (16)
O2 −0.37344 (8) 0.40959 (3) 0.72097 (6) 0.02177 (15)
O3 −0.92113 (7) 0.36336 (3) 0.94659 (6) 0.01856 (14)
O4 0.74748 (8) 0.35124 (3) 0.34692 (6) 0.02249 (16)
O5 0.77838 (8) 0.45585 (3) 0.38227 (6) 0.02363 (16)
O6 1.33565 (7) 0.38813 (3) 0.17479 (6) 0.01967 (15)
N1 −0.10882 (9) 0.31350 (4) 0.67751 (7) 0.02016 (17)
N2 0.51947 (9) 0.35033 (4) 0.44136 (7) 0.02191 (17)
C1 −0.54350 (10) 0.36269 (4) 0.81521 (7) 0.01557 (17)
C2 −0.57223 (10) 0.31282 (4) 0.88043 (7) 0.01700 (17)
H2 −0.5048 0.2777 0.8950 0.020*
C3 −0.69860 (10) 0.31438 (4) 0.92393 (8) 0.01764 (17)
H3 −0.7169 0.2806 0.9686 0.021*
C4 −0.79903 (10) 0.36588 (4) 0.90180 (7) 0.01553 (17)
C5 −0.77115 (10) 0.41585 (4) 0.83675 (7) 0.01658 (17)
H5 −0.8388 0.4509 0.8216 0.020*
C6 −0.64371 (10) 0.41374 (4) 0.79445 (7) 0.01672 (17)
H6 −0.6246 0.4478 0.7505 0.020*
C7 −0.40997 (10) 0.36318 (4) 0.76677 (7) 0.01667 (17)
C8 −1.02432 (10) 0.41622 (4) 0.92520 (8) 0.01880 (18)
H8A −1.0723 0.4179 0.8482 0.023*
H8B −0.9696 0.4568 0.9453 0.023*
C9 −1.14267 (11) 0.40745 (5) 0.98921 (8) 0.02217 (19)
H9A −1.0945 0.4070 1.0653 0.033*
H9B −1.1954 0.3669 0.9695 0.033*
H9C −1.2150 0.4427 0.9744 0.033*
C10 0.95579 (10) 0.40171 (4) 0.30216 (7) 0.01621 (17)
C11 1.04428 (10) 0.45571 (4) 0.30003 (8) 0.01774 (17)
H11 1.0160 0.4949 0.3273 0.021*
C12 1.17334 (10) 0.45373 (4) 0.25886 (8) 0.01782 (18)
H12 1.2328 0.4910 0.2585 0.021*
C13 1.21379 (10) 0.39607 (4) 0.21808 (7) 0.01639 (17)
C14 1.12647 (10) 0.34139 (4) 0.22033 (8) 0.01837 (18)
H14 1.1544 0.3022 0.1928 0.022*
C15 0.99956 (10) 0.34406 (4) 0.26245 (8) 0.01753 (17)
H15 0.9416 0.3065 0.2645 0.021*
C16 0.81942 (10) 0.40630 (5) 0.34748 (7) 0.01747 (17)
C17 1.43238 (10) 0.44212 (5) 0.17318 (8) 0.02026 (19)
H17A 1.4830 0.4543 0.2468 0.024*
H17B 1.3729 0.4791 0.1388 0.024*
C18 1.54764 (11) 0.42313 (5) 0.11099 (8) 0.0229 (2)
H18A 1.5998 0.3843 0.1421 0.034*
H18B 1.6209 0.4578 0.1139 0.034*
H18C 1.4970 0.4150 0.0366 0.034*
C19 −0.09136 (10) 0.36667 (5) 0.62319 (8) 0.01935 (18)
H19 −0.1662 0.3990 0.6159 0.023*
C20 0.03056 (10) 0.37669 (5) 0.57728 (7) 0.01765 (17)
H20 0.0388 0.4153 0.5402 0.021*
C21 0.14130 (10) 0.32950 (4) 0.58603 (7) 0.01586 (17)
C22 0.12277 (10) 0.27418 (5) 0.64248 (8) 0.01962 (18)
H22 0.1954 0.2409 0.6508 0.024*
C23 −0.00263 (11) 0.26821 (5) 0.68641 (8) 0.02095 (19)
H23 −0.0137 0.2303 0.7245 0.025*
C24 0.46423 (11) 0.29264 (5) 0.45714 (9) 0.0242 (2)
H24 0.5105 0.2559 0.4352 0.029*
C25 0.34301 (11) 0.28424 (5) 0.50393 (9) 0.0228 (2)
H25 0.3080 0.2424 0.5140 0.027*
C26 0.27224 (10) 0.33746 (4) 0.53636 (7) 0.01618 (17)
C27 0.32923 (10) 0.39752 (4) 0.51958 (8) 0.01849 (18)
H27 0.2847 0.4352 0.5400 0.022*
C28 0.45223 (11) 0.40137 (5) 0.47250 (8) 0.02086 (19)
H28 0.4906 0.4425 0.4619 0.025*
H1 −0.254 (2) 0.3118 (9) 0.7426 (17) 0.059 (5)*
H4 0.663 (2) 0.3549 (10) 0.3782 (17) 0.066 (6)*