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. 2011 Jun 18;67(Pt 7):o1653–o1654. doi: 10.1107/S1600536811022306
x y z Uiso*/Ueq
O1 0.5054 (4) 0.6502 (3) 0.64947 (9) 0.0699 (7)
O2 0.6876 (3) 0.44181 (18) 0.54580 (7) 0.0288 (4)
O3 0.8458 (3) 0.2160 (2) 0.70085 (7) 0.0329 (4)
O4 1.0068 (3) −0.0091 (2) 0.59915 (8) 0.0389 (4)
H4 0.9884 −0.0925 0.5735 0.047*
O5 1.0291 (3) 0.2171 (2) 0.48840 (8) 0.0311 (4)
H5 1.1187 0.1341 0.4836 0.037*
C1 0.7134 (5) 0.5512 (3) 0.65761 (12) 0.0426 (7)
H1A 0.7402 0.5208 0.7057 0.051*
H1B 0.8523 0.6151 0.6427 0.051*
C2 0.6801 (4) 0.3952 (3) 0.61547 (11) 0.0296 (5)
H2A 0.5206 0.3471 0.6240 0.036*
C3 0.8671 (4) 0.2607 (3) 0.63147 (10) 0.0272 (5)
H3A 1.0284 0.3072 0.6241 0.033*
C4 0.8223 (4) 0.1094 (3) 0.58552 (10) 0.0285 (5)
H4A 0.6689 0.0569 0.5976 0.034*
C5 0.8049 (4) 0.1607 (3) 0.51169 (11) 0.0275 (5)
H5A 0.7506 0.0621 0.4839 0.033*
C6 0.6287 (4) 0.3020 (3) 0.50228 (11) 0.0311 (5)
H6A 0.6261 0.3397 0.4546 0.037*
H6B 0.4687 0.2606 0.5123 0.037*
C9 1.0627 (4) 0.1952 (4) 0.73746 (12) 0.0466 (7)
H9A 1.1698 0.2896 0.7274 0.056*
H9B 1.1392 0.0897 0.7233 0.056*
C10 0.5053 (8) 0.7934 (4) 0.69327 (14) 0.0781 (12)
H10A 0.3683 0.8656 0.6807 0.094*
H10B 0.6509 0.8596 0.6867 0.094*
C11 1.0226 (4) 0.1894 (3) 0.81204 (11) 0.0358 (6)
C12 0.8296 (5) 0.2669 (4) 0.84079 (12) 0.0436 (7)
H12A 0.7150 0.3227 0.8127 0.052*
C13 0.8036 (5) 0.2634 (4) 0.90972 (13) 0.0538 (8)
H13A 0.6711 0.3162 0.9289 0.065*
C14 0.9691 (5) 0.1834 (5) 0.95082 (13) 0.0595 (9)
H14A 0.9516 0.1822 0.9983 0.071*
C15 1.1608 (5) 0.1049 (4) 0.92311 (13) 0.0579 (8)
H15A 1.2745 0.0488 0.9514 0.069*
C16 1.1858 (5) 0.1086 (4) 0.85404 (13) 0.0464 (7)
H16A 1.3177 0.0545 0.8351 0.056*
C21 0.4931 (5) 0.7468 (4) 0.76631 (13) 0.0437 (7)
C22 0.3085 (5) 0.6518 (4) 0.79079 (15) 0.0546 (8)
H22A 0.1873 0.6120 0.7605 0.066*
C23 0.2996 (6) 0.6149 (5) 0.85879 (17) 0.0656 (9)
H23A 0.1729 0.5496 0.8750 0.079*
C24 0.4711 (7) 0.6713 (5) 0.90252 (15) 0.0693 (10)
H24A 0.4632 0.6463 0.9493 0.083*
C25 0.6537 (6) 0.7633 (5) 0.87996 (16) 0.0699 (10)
H25A 0.7729 0.8032 0.9109 0.084*
C26 0.6663 (5) 0.7989 (4) 0.81241 (16) 0.0553 (8)
H26A 0.7974 0.8609 0.7970 0.066*