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. 2011 Oct 8;67(Pt 11):o2859–o2860. doi: 10.1107/S1600536811040335
x y z Uiso*/Ueq
S1 0.347686 (15) 0.61731 (3) 0.66691 (3) 0.01450 (10)
O1 0.36497 (5) 0.53406 (10) 0.56612 (9) 0.0205 (2)
O2 0.31216 (5) 0.74476 (9) 0.63034 (9) 0.0200 (2)
O3 0.11000 (5) 0.43117 (9) 0.71433 (9) 0.0190 (2)
N1 0.29905 (6) 0.15898 (11) 0.69500 (10) 0.0166 (2)
N2 0.24574 (6) 0.35506 (11) 0.83452 (10) 0.0146 (2)
C1 0.25306 (7) 0.12578 (13) 0.77577 (12) 0.0155 (3)
C2 0.23431 (7) −0.00846 (13) 0.78555 (13) 0.0182 (3)
H2 0.2537 −0.0755 0.7395 0.022*
C3 0.18766 (7) −0.04454 (13) 0.86193 (13) 0.0198 (3)
H3 0.1741 −0.1358 0.8665 0.024*
C4 0.16049 (7) 0.05308 (13) 0.93218 (13) 0.0181 (3)
H4 0.1290 0.0275 0.9854 0.022*
C5 0.17878 (7) 0.18683 (13) 0.92537 (12) 0.0162 (3)
H5 0.1602 0.2527 0.9739 0.019*
C6 0.22492 (6) 0.22410 (13) 0.84637 (12) 0.0142 (3)
C7 0.31442 (7) 0.28371 (13) 0.68290 (12) 0.0159 (3)
H7 0.3450 0.3057 0.6268 0.019*
C8 0.28749 (6) 0.39240 (13) 0.75032 (12) 0.0142 (3)
C9 0.29573 (6) 0.52749 (13) 0.74933 (12) 0.0150 (3)
C10 0.25941 (7) 0.59237 (13) 0.84700 (13) 0.0170 (3)
H10A 0.2265 0.6655 0.8048 0.020*
H10B 0.2955 0.6285 0.9247 0.020*
C11 0.21643 (7) 0.47295 (12) 0.88718 (12) 0.0145 (3)
H11 0.2249 0.4671 0.9857 0.017*
C12 0.13534 (7) 0.48735 (12) 0.81931 (12) 0.0139 (3)
C13 0.09098 (7) 0.57500 (12) 0.88358 (12) 0.0144 (3)
C14 0.12184 (7) 0.65545 (13) 0.99308 (12) 0.0163 (3)
H14 0.1727 0.6549 1.0296 0.020*
C15 0.07783 (7) 0.73617 (14) 1.04836 (13) 0.0210 (3)
H15 0.0987 0.7912 1.1226 0.025*
C16 0.00346 (8) 0.73669 (14) 0.99538 (15) 0.0231 (3)
H16 −0.0264 0.7924 1.0333 0.028*
C17 −0.02763 (7) 0.65613 (15) 0.88708 (14) 0.0223 (3)
H17 −0.0786 0.6563 0.8515 0.027*
C18 0.01584 (7) 0.57577 (14) 0.83122 (13) 0.0181 (3)
H18 −0.0054 0.5209 0.7570 0.022*
C19 0.42916 (7) 0.64997 (14) 0.78853 (12) 0.0168 (3)
C20 0.48648 (7) 0.56023 (15) 0.80223 (14) 0.0223 (3)
H20 0.4825 0.4844 0.7456 0.027*
C21 0.54965 (8) 0.58369 (18) 0.90036 (15) 0.0304 (4)
H21 0.5896 0.5242 0.9109 0.037*
C22 0.55422 (8) 0.69423 (19) 0.98282 (14) 0.0326 (4)
H22 0.5975 0.7099 1.0497 0.039*
C23 0.49673 (8) 0.78208 (17) 0.96936 (14) 0.0292 (3)
H23 0.5006 0.8570 1.0272 0.035*
C24 0.43328 (7) 0.76078 (15) 0.87121 (13) 0.0218 (3)
H24 0.3936 0.8207 0.8608 0.026*