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. 2012 Mar 3;68(Pt 4):o946. doi: 10.1107/S1600536812008240
x y z Uiso*/Ueq
S1 0.64151 (7) 0.31790 (6) 0.28518 (5) 0.03564 (17)
F1 0.78061 (17) 0.98655 (14) 0.35845 (16) 0.0503 (4)
O1 0.23013 (17) 0.40794 (15) 0.34150 (13) 0.0310 (3)
O2 0.1261 (3) 0.16845 (17) 0.07988 (16) 0.0552 (5)
O3 0.0331 (2) −0.07438 (16) 0.15984 (16) 0.0434 (4)
H3O −0.022 (5) −0.102 (5) 0.082 (4) 0.097 (13)*
C1 0.4901 (2) 0.3980 (2) 0.30894 (17) 0.0273 (4)
C2 0.5220 (2) 0.5633 (2) 0.32776 (16) 0.0261 (3)
C3 0.6709 (2) 0.7080 (2) 0.33113 (19) 0.0309 (4)
H3 0.7852 0.7141 0.3203 0.037*
C4 0.6403 (3) 0.8411 (2) 0.3512 (2) 0.0343 (4)
C5 0.4765 (3) 0.8394 (2) 0.3669 (2) 0.0348 (4)
H5 0.4664 0.9371 0.3791 0.042*
C6 0.3272 (3) 0.6965 (2) 0.36477 (18) 0.0312 (4)
C7 0.3583 (2) 0.5618 (2) 0.34579 (17) 0.0273 (4)
C8 0.3153 (2) 0.3132 (2) 0.31893 (17) 0.0287 (4)
C9 0.1464 (3) 0.6865 (3) 0.3815 (2) 0.0426 (5)
H9A 0.0604 0.5752 0.3705 0.064*
H9B 0.1222 0.7497 0.3122 0.064*
H9C 0.1386 0.7283 0.4728 0.064*
C10 0.2049 (3) 0.1387 (2) 0.30994 (19) 0.0349 (4)
H10A 0.1139 0.1115 0.3792 0.042*
H10B 0.2789 0.0828 0.3322 0.042*
C11 0.1170 (3) 0.0792 (2) 0.17141 (19) 0.0317 (4)
C12 0.6510 (5) 0.3118 (4) 0.0971 (3) 0.0624 (8)
H12 0.5284 0.2565 0.0581 0.075*
C13 0.7450 (8) 0.2152 (6) 0.0605 (5) 0.124 (2)
H13A 0.7367 0.1960 −0.0388 0.186*
H13B 0.6925 0.1132 0.1055 0.186*
H13C 0.8683 0.2722 0.0904 0.186*
C14 0.7333 (5) 0.4753 (4) 0.0408 (3) 0.0766 (10)
H14A 0.8535 0.5318 0.0783 0.115*
H14B 0.6652 0.5344 0.0663 0.115*
H14C 0.7351 0.4665 −0.0590 0.115*