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. 2011 May 11;67(Pt 6):o1372–o1373. doi: 10.1107/S1600536811016977
x y z Uiso*/Ueq
O1 0.16772 (13) 0.30000 (11) −0.13861 (10) 0.0679 (3)
O2 0.43323 (13) −0.41373 (11) 0.37191 (11) 0.0644 (3)
O3 0.37319 (15) −0.32210 (11) 0.19276 (10) 0.0681 (3)
C1 0.66751 (15) −0.03177 (14) 0.42278 (11) 0.0459 (3)
H1A 0.6795 0.0439 0.3861 0.055*
C2 0.76064 (15) −0.00671 (14) 0.53313 (11) 0.0485 (3)
C3 0.73915 (17) −0.12245 (17) 0.58579 (13) 0.0552 (3)
H3A 0.8003 −0.1083 0.6599 0.066*
C4 0.63119 (17) −0.25623 (16) 0.53216 (13) 0.0561 (3)
H4A 0.6195 −0.3308 0.5700 0.067*
C5 0.53927 (15) −0.28026 (14) 0.42114 (12) 0.0475 (3)
C6 0.55590 (14) −0.16674 (13) 0.36425 (10) 0.0428 (2)
C7 0.45402 (16) −0.19356 (14) 0.24783 (11) 0.0475 (3)
C8 0.44225 (16) −0.07006 (14) 0.19893 (11) 0.0484 (3)
H8A 0.5083 0.0245 0.2364 0.058*
C9 0.33780 (17) −0.09225 (15) 0.10131 (12) 0.0526 (3)
H9A 0.2805 −0.1906 0.0646 0.063*
C10 0.30100 (16) 0.01655 (14) 0.04420 (11) 0.0490 (3)
C11 0.1932 (2) −0.03475 (16) −0.06343 (15) 0.0703 (5)
H11A 0.1479 −0.1369 −0.0963 0.084*
C12 0.1525 (2) 0.06119 (17) −0.12187 (15) 0.0732 (5)
H12A 0.0811 0.0237 −0.1939 0.088*
C13 0.21741 (16) 0.21433 (14) −0.07401 (12) 0.0511 (3)
C14 0.32657 (17) 0.26857 (15) 0.03205 (12) 0.0536 (3)
H14A 0.3720 0.3708 0.0644 0.064*
C15 0.36739 (17) 0.16958 (15) 0.08932 (12) 0.0537 (3)
H15A 0.4413 0.2066 0.1600 0.064*
C16 0.24447 (19) 0.45417 (15) −0.10512 (15) 0.0644 (4)
H16A 0.3565 0.4657 −0.1101 0.077*
H16B 0.2321 0.5047 −0.0218 0.077*
C17 0.17020 (16) 0.52033 (13) −0.19193 (13) 0.0526 (3)
C18 0.01997 (18) 0.54490 (19) −0.18521 (17) 0.0677 (4)
H18A −0.0364 0.5200 −0.1259 0.081*
C19 −0.04746 (19) 0.60627 (19) −0.26593 (18) 0.0711 (4)
H19A −0.1485 0.6225 −0.2604 0.085*
C20 0.0337 (2) 0.64284 (18) −0.35342 (15) 0.0685 (4)
H20A −0.0119 0.6837 −0.4077 0.082*
C21 0.1825 (2) 0.6194 (2) −0.36131 (15) 0.0724 (4)
H21A 0.2380 0.6446 −0.4209 0.087*
C22 0.25088 (19) 0.55839 (17) −0.28101 (14) 0.0615 (4)
H22A 0.3521 0.5429 −0.2871 0.074*
C23 0.87881 (19) 0.13954 (18) 0.59510 (15) 0.0658 (4)
H23A 0.8420 0.2194 0.5759 0.099*
H23B 0.9787 0.1346 0.5670 0.099*
H23C 0.8911 0.1579 0.6820 0.099*
H1O2 0.392 (3) −0.406 (3) 0.298 (2) 0.110 (8)*