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. 2011 May 7;67(Pt 6):o1313–o1314. doi: 10.1107/S160053681101614X
x y z Uiso*/Ueq
O1 0.22678 (13) −0.12255 (2) 0.64011 (11) 0.01788 (14)
O2 1.16788 (13) 0.04531 (2) 0.73546 (11) 0.01926 (15)
O3 1.37772 (13) 0.10727 (2) 0.82954 (12) 0.01960 (15)
H1 1.3290 0.0824 0.7790 0.029*
C1 0.1804 (2) −0.21718 (3) 0.69912 (16) 0.0233 (2)
H1A 0.3438 −0.2209 0.7668 0.028*
C2 0.0347 (3) −0.24325 (3) 0.71398 (18) 0.0297 (3)
H2A 0.1013 −0.2641 0.7926 0.036*
C3 −0.2084 (2) −0.23818 (3) 0.61239 (18) 0.0283 (2)
H3A −0.3055 −0.2557 0.6219 0.034*
C4 −0.3076 (2) −0.20672 (3) 0.49557 (17) 0.0238 (2)
H4A −0.4713 −0.2033 0.4264 0.029*
C5 −0.16259 (19) −0.18037 (3) 0.48208 (15) 0.01870 (18)
H5A −0.2296 −0.1593 0.4053 0.022*
C6 0.08311 (18) −0.18549 (3) 0.58347 (14) 0.01668 (17)
C7 0.24046 (18) −0.15803 (3) 0.56323 (14) 0.01653 (17)
H7A 0.4030 −0.1670 0.6331 0.020*
H7B 0.1891 −0.1553 0.4282 0.020*
C8 0.37550 (16) −0.09508 (3) 0.64855 (13) 0.01453 (16)
C9 0.53008 (17) −0.09903 (3) 0.58253 (14) 0.01643 (17)
H9A 0.5357 −0.1213 0.5262 0.020*
C10 0.67596 (17) −0.06915 (3) 0.60209 (14) 0.01585 (17)
H10A 0.7794 −0.0719 0.5585 0.019*
C11 0.67167 (16) −0.03522 (3) 0.68526 (13) 0.01424 (16)
C12 0.51140 (17) −0.03170 (3) 0.74868 (14) 0.01541 (17)
H12A 0.5032 −0.0093 0.8028 0.018*
C13 0.36650 (17) −0.06120 (3) 0.73120 (14) 0.01546 (17)
H13A 0.2626 −0.0586 0.7744 0.019*
C14 0.83060 (17) −0.00553 (3) 0.70116 (13) 0.01512 (17)
H14A 0.9183 −0.0100 0.6443 0.018*
C15 0.86482 (17) 0.02778 (3) 0.78915 (14) 0.01564 (17)
H15A 0.7793 0.0338 0.8463 0.019*
C16 1.03580 (16) 0.05459 (3) 0.79541 (13) 0.01431 (16)
C17 1.05437 (16) 0.09259 (3) 0.87343 (13) 0.01351 (16)
C18 0.90277 (17) 0.10566 (3) 0.93231 (14) 0.01700 (17)
H18A 0.7872 0.0898 0.9246 0.020*
C19 0.92093 (19) 0.14160 (3) 1.00144 (15) 0.02028 (19)
H19A 0.8178 0.1497 1.0388 0.024*
C20 1.09498 (19) 0.16556 (3) 1.01480 (15) 0.01988 (19)
H20A 1.1082 0.1897 1.0618 0.024*
C21 1.24825 (18) 0.15361 (3) 0.95848 (14) 0.01802 (18)
H21A 1.3642 0.1697 0.9682 0.022*
C22 1.22862 (16) 0.11736 (3) 0.88693 (13) 0.01474 (17)