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. 2012 Jul 18;68(Pt 8):o2488. doi: 10.1107/S1600536812028851
x y z Uiso*/Ueq
O10 0.5636 (3) 0.0686 (2) 0.89590 (4) 0.0513 (6)
O11 0.5456 (2) 0.04001 (18) 0.94906 (4) 0.0318 (4)
O16 −0.0506 (2) 0.1699 (2) 0.96650 (5) 0.0425 (5)
O18 0.3702 (2) 0.4082 (2) 0.96960 (4) 0.0375 (4)
O23 0.2851 (2) 0.94913 (19) 0.81098 (4) 0.0368 (4)
O25 0.2547 (2) 1.3408 (2) 0.78898 (4) 0.0412 (5)
O26 0.0084 (3) 1.2315 (2) 0.75097 (5) 0.0403 (4)
O27 −0.1883 (2) 1.1350 (2) 0.80154 (5) 0.0455 (5)
O29 0.1799 (2) 1.1452 (2) 0.84138 (4) 0.0357 (4)
C1 0.3003 (3) 0.7119 (3) 0.84098 (6) 0.0350 (5)
H1A 0.2102 0.7109 0.8553 0.042*
H1B 0.2732 0.6649 0.8202 0.042*
C2 0.3627 (3) 0.8721 (3) 0.83662 (6) 0.0340 (5)
H2 0.3465 0.9303 0.8569 0.041*
C3 0.5355 (3) 0.8560 (3) 0.83072 (7) 0.0386 (6)
H3A 0.5623 0.8882 0.8087 0.046*
H3B 0.5940 0.9182 0.8462 0.046*
C4 0.5683 (3) 0.6857 (3) 0.83553 (6) 0.0319 (5)
H4 0.5598 0.6341 0.8143 0.038*
C5 0.7166 (3) 0.6402 (3) 0.85043 (7) 0.0386 (6)
H5 0.8054 0.6996 0.8468 0.046*
C6 0.7238 (3) 0.5161 (3) 0.86879 (6) 0.0358 (5)
H6 0.8196 0.4910 0.8779 0.043*
C7 0.5914 (3) 0.4131 (3) 0.87605 (6) 0.0313 (5)
H7 0.6175 0.3089 0.8681 0.038*
C8 0.5579 (3) 0.4018 (3) 0.91260 (6) 0.0295 (5)
H8 0.5880 0.5004 0.9227 0.035*
C9 0.6420 (3) 0.2733 (3) 0.93019 (6) 0.0307 (5)
H9A 0.7513 0.2766 0.9243 0.037*
H9B 0.6345 0.2907 0.9536 0.037*
C10 0.5798 (3) 0.1174 (3) 0.92253 (6) 0.0315 (5)
C12 0.5017 (3) −0.1199 (3) 0.94565 (7) 0.0357 (5)
H12 0.4991 −0.1471 0.9224 0.043*
C13 0.3448 (4) −0.1438 (3) 0.95999 (9) 0.0489 (7)
H13A 0.3546 −0.1466 0.9836 0.059*
H13B 0.3063 −0.2442 0.9530 0.059*
C14 0.2249 (4) −0.0210 (3) 0.95098 (8) 0.0449 (7)
H14A 0.2574 0.0328 0.9313 0.054*
H14B 0.1254 −0.0701 0.9467 0.054*
C15 0.2085 (3) 0.0922 (3) 0.97844 (7) 0.0381 (6)
H15A 0.1735 0.0361 0.9976 0.046*
H15B 0.3107 0.1338 0.9834 0.046*
C16 0.1004 (3) 0.2250 (3) 0.97290 (6) 0.0355 (5)
H16 0.0975 0.2888 0.9927 0.043*
C17 0.1391 (3) 0.3263 (3) 0.94464 (6) 0.0313 (5)
H17 0.1169 0.2696 0.9244 0.038*
C18 0.3045 (3) 0.3737 (3) 0.94445 (6) 0.0293 (5)
C19 0.3866 (3) 0.3896 (3) 0.91396 (6) 0.0293 (5)
C20 0.3231 (3) 0.4125 (3) 0.88526 (6) 0.0311 (5)
H20 0.2176 0.3998 0.8809 0.037*
C21 0.4377 (3) 0.4603 (3) 0.86074 (6) 0.0297 (5)
H21 0.4207 0.4068 0.8399 0.036*
C22 0.4360 (3) 0.6331 (3) 0.85635 (6) 0.0292 (5)
H22 0.4505 0.6794 0.8780 0.035*
C24 0.2789 (3) 1.1066 (3) 0.81606 (6) 0.0336 (5)
H24 0.3835 1.1431 0.8216 0.040*
C25 0.2305 (3) 1.1817 (3) 0.78489 (6) 0.0342 (5)
H25 0.2956 1.1435 0.7670 0.041*
C26 0.0631 (3) 1.1468 (3) 0.77771 (6) 0.0334 (5)
H26 0.0529 1.0360 0.7729 0.040*
C27 −0.0359 (3) 1.1844 (3) 0.80648 (6) 0.0351 (5)
H27 −0.0345 1.2965 0.8104 0.042*
C28 0.0250 (3) 1.1013 (3) 0.83596 (6) 0.0367 (5)
H28 0.0209 0.9892 0.8320 0.044*
C121 0.6240 (4) −0.2127 (3) 0.96221 (7) 0.0422 (6)
H12A 0.6335 −0.1777 0.9847 0.051*
H12B 0.5920 −0.3206 0.9627 0.051*
C122 0.7782 (4) −0.2017 (4) 0.94616 (9) 0.0537 (8)
H12C 0.8121 −0.0955 0.9461 0.064*
H12D 0.7703 −0.2382 0.9240 0.064*
H12E 0.8519 −0.2641 0.9579 0.064*
C171 0.0413 (3) 0.4720 (3) 0.94530 (8) 0.0438 (6)
H17A 0.0594 0.5308 0.9257 0.053*
H17B 0.0690 0.5333 0.9640 0.053*
H17C −0.0667 0.4444 0.9466 0.053*
C251 0.3124 (4) 1.4170 (4) 0.76164 (8) 0.0516 (8)
H25A 0.2365 1.4139 0.7444 0.062*
H25B 0.4061 1.3668 0.7545 0.062*
H25C 0.3347 1.5230 0.7671 0.062*
C261 0.0420 (4) 1.1631 (4) 0.72113 (7) 0.0528 (8)
H26A −0.0006 1.0601 0.7206 0.063*
H26B 0.1527 1.1580 0.7183 0.063*
H26C −0.0029 1.2237 0.7038 0.063*
C271 −0.2890 (4) 1.2497 (4) 0.79068 (8) 0.0524 (8)
H27A −0.2558 1.2859 0.7696 0.063*
H27B −0.2886 1.3346 0.8059 0.063*
H27C −0.3922 1.2080 0.7890 0.063*
C281 −0.0613 (4) 1.1369 (4) 0.86623 (7) 0.0502 (7)
H28A −0.0567 1.2464 0.8704 0.060*
H28B −0.0154 1.0817 0.8842 0.060*
H28C −0.1678 1.1056 0.8638 0.060*
H16O −0.083 (4) 0.123 (4) 0.9849 (8) 0.057 (10)*