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. 2011 Apr 22;67(Pt 5):o1202–o1203. doi: 10.1107/S1600536811014577
x y z Uiso*/Ueq
S1 0.48274 (6) 0.392868 (13) 0.76377 (5) 0.02350 (11)
N1 0.64141 (18) 0.33140 (4) 0.56770 (16) 0.0214 (3)
N2 0.93294 (17) 0.29594 (4) 0.63993 (16) 0.0232 (3)
N3 0.68294 (18) 0.24922 (4) 0.50838 (17) 0.0239 (3)
C1 0.7516 (2) 0.29479 (5) 0.57258 (18) 0.0203 (3)
C2 1.0512 (2) 0.27118 (7) 0.5595 (2) 0.0362 (4)
H2A 0.9806 0.2524 0.4615 0.054*
H2B 1.1294 0.2483 0.6395 0.054*
H2C 1.1231 0.2961 0.5232 0.054*
C3 1.0191 (2) 0.33296 (6) 0.7646 (2) 0.0291 (4)
H3A 1.0587 0.3609 0.7089 0.044*
H3B 1.1220 0.3179 0.8466 0.044*
H3C 0.9349 0.3450 0.8225 0.044*
C4 0.4983 (2) 0.24676 (6) 0.4081 (2) 0.0311 (4)
H4A 0.4223 0.2445 0.4825 0.047*
H4B 0.4800 0.2173 0.3354 0.047*
H4C 0.4678 0.2768 0.3385 0.047*
C5 0.7491 (2) 0.20329 (5) 0.5999 (2) 0.0309 (4)
H5A 0.8732 0.2079 0.6666 0.046*
H5B 0.7414 0.1760 0.5196 0.046*
H5C 0.6772 0.1952 0.6746 0.046*
C6 0.6947 (2) 0.38116 (5) 0.56372 (19) 0.0192 (3)
C7 0.7988 (2) 0.39792 (5) 0.4653 (2) 0.0233 (3)
H7A 0.8470 0.3744 0.4052 0.028*
C8 0.8338 (2) 0.44823 (6) 0.4527 (2) 0.0252 (4)
H8A 0.9042 0.4589 0.3838 0.030*
C9 0.7656 (2) 0.48271 (5) 0.5412 (2) 0.0236 (3)
H9A 0.7905 0.5171 0.5343 0.028*
C10 0.6610 (2) 0.46705 (5) 0.63978 (19) 0.0220 (3)
H10A 0.6153 0.4908 0.7009 0.026*
C11 0.6223 (2) 0.41684 (5) 0.65010 (18) 0.0192 (3)
C12 0.4411 (2) 0.44748 (5) 0.8758 (2) 0.0243 (4)
H12A 0.5549 0.4615 0.9463 0.029*
H12B 0.3797 0.4733 0.7947 0.029*
C13 0.3272 (2) 0.43232 (5) 0.98479 (19) 0.0210 (3)
C14 0.4001 (2) 0.40508 (6) 1.1318 (2) 0.0274 (4)
H14A 0.5226 0.3966 1.1635 0.033*
C15 0.2967 (3) 0.39029 (6) 1.2317 (2) 0.0317 (4)
H15A 0.3480 0.3719 1.3316 0.038*
C16 0.1184 (3) 0.40237 (6) 1.1860 (2) 0.0332 (4)
H16A 0.0467 0.3919 1.2539 0.040*
C17 0.0442 (2) 0.42969 (6) 1.0417 (2) 0.0329 (4)
H17A −0.0781 0.4384 1.0113 0.039*
C18 0.1484 (2) 0.44444 (6) 0.9414 (2) 0.0266 (4)
H18A 0.0967 0.4630 0.8420 0.032*