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. 2008 Mar 5;64(Pt 4):o651–o652. doi: 10.1107/S1600536808004832
x y z Uiso*/Ueq
O5 0.62447 (9) 0.47253 (9) 0.17678 (8) 0.0374 (2)
O1 0.44791 (10) 0.90069 (10) 0.12081 (9) 0.0441 (3)
H1 0.3758 0.8590 0.0943 0.066*
C11 0.52749 (12) 0.68367 (13) 0.14635 (9) 0.0315 (3)
O6 0.29738 (10) 0.70239 (10) 0.06007 (9) 0.0492 (3)
O2 0.69716 (11) 0.99477 (10) 0.21570 (8) 0.0437 (3)
C2 0.67515 (14) 0.86433 (13) 0.20640 (10) 0.0361 (3)
C12 0.63679 (13) 0.60211 (13) 0.18592 (10) 0.0325 (3)
C10 0.39784 (13) 0.63185 (13) 0.09340 (10) 0.0343 (3)
C13 0.50227 (13) 0.41989 (13) 0.12579 (10) 0.0336 (3)
C4 0.76454 (13) 0.64776 (14) 0.23766 (11) 0.0370 (3)
C8 0.26918 (14) 0.43164 (14) 0.02687 (11) 0.0371 (3)
H8 0.1934 0.4798 −0.0049 0.045*
O3 0.89800 (11) 0.84290 (12) 0.29620 (11) 0.0599 (4)
C3 0.78279 (13) 0.78037 (15) 0.24786 (11) 0.0385 (3)
C9 0.38925 (13) 0.49338 (13) 0.08075 (10) 0.0331 (3)
C1 0.54949 (13) 0.81769 (13) 0.15801 (10) 0.0331 (3)
O7 0.14973 (11) 0.23466 (11) −0.03034 (10) 0.0517 (3)
H7 0.0882 0.2864 −0.0560 0.078*
C7 0.26315 (14) 0.30003 (14) 0.02086 (11) 0.0386 (3)
O4 0.86845 (10) 0.56302 (11) 0.26990 (9) 0.0500 (3)
C5 0.49582 (15) 0.28688 (14) 0.12202 (11) 0.0398 (3)
H5 0.5711 0.2383 0.1543 0.048*
C6 0.37723 (16) 0.22793 (14) 0.07010 (11) 0.0421 (3)
H6 0.3727 0.1391 0.0677 0.051*
C15 1.02209 (16) 0.7842 (2) 0.32996 (18) 0.0673 (5)
H15A 1.0321 0.7309 0.3881 0.101*
H15B 1.0895 0.8486 0.3492 0.101*
H15C 1.0297 0.7329 0.2756 0.101*
C14 0.7299 (2) 1.04398 (18) 0.13328 (16) 0.0595 (5)
H14A 0.8034 0.9974 0.1290 0.089*
H14B 0.7526 1.1328 0.1453 0.089*
H14C 0.6557 1.0349 0.0700 0.089*
C16 0.8790 (2) 0.4892 (2) 0.35909 (16) 0.0701 (6)
H16A 0.8795 0.5457 0.4132 0.105*
H16B 0.9592 0.4406 0.3811 0.105*
H16C 0.8052 0.4321 0.3425 0.105*
O8 0.92795 (15) 0.37653 (18) 0.88918 (14) 0.0695 (4)
H15 0.862 (4) 0.361 (4) 0.905 (3) 0.123 (12)*
H16 0.912 (3) 0.436 (3) 0.860 (2) 0.104 (12)*