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. 2008 Mar 14;64(Pt 4):o713. doi: 10.1107/S1600536808006867
x y z Uiso*/Ueq
O1 0.70895 (5) 0.49566 (11) 0.41410 (3) 0.01881 (15)
O2 0.42098 (5) 0.04434 (11) 0.39657 (4) 0.02165 (16)
O3 0.26668 (5) 0.18561 (11) 0.31384 (3) 0.02019 (15)
O4 0.42341 (4) 0.74216 (11) 0.27339 (3) 0.01861 (15)
O5 −0.12257 (5) 0.49357 (12) 0.12202 (4) 0.02212 (16)
C1 0.74810 (9) 0.50860 (18) 0.53739 (5) 0.0300 (2)
H1A 0.7776 0.6578 0.5344 0.045*
H1B 0.7814 0.4307 0.5784 0.045*
H1C 0.6784 0.5257 0.5401 0.045*
C2 0.86499 (7) 0.3562 (2) 0.46408 (6) 0.0312 (2)
H2A 0.8685 0.2740 0.4217 0.047*
H2B 0.9035 0.2764 0.5028 0.047*
H2C 0.8915 0.5086 0.4611 0.047*
C3 0.75883 (6) 0.37155 (15) 0.47438 (4) 0.01759 (17)
C4 0.71488 (7) 0.14234 (16) 0.47920 (5) 0.0231 (2)
H4 0.7539 0.0268 0.5033 0.028*
C5 0.62256 (7) 0.09525 (16) 0.45064 (5) 0.02201 (19)
H5 0.5948 −0.0474 0.4580 0.026*
C6 0.56482 (6) 0.26353 (14) 0.40815 (4) 0.01600 (17)
C7 0.46669 (6) 0.23138 (14) 0.37950 (4) 0.01593 (17)
C8 0.41581 (6) 0.38972 (14) 0.33266 (4) 0.01501 (16)
C9 0.31511 (6) 0.35590 (14) 0.30076 (4) 0.01544 (16)
C10 0.27298 (6) 0.53058 (15) 0.25305 (4) 0.01599 (16)
C11 0.32922 (6) 0.71046 (16) 0.24342 (4) 0.01798 (17)
H11 0.3000 0.8244 0.2130 0.022*
C12 0.46784 (6) 0.58219 (14) 0.31783 (4) 0.01550 (17)
C13 0.56476 (6) 0.62234 (15) 0.34640 (4) 0.01663 (17)
H13 0.5977 0.7550 0.3357 0.020*
C14 0.61209 (6) 0.46139 (15) 0.39122 (4) 0.01554 (16)
C15 0.16979 (6) 0.52188 (15) 0.21756 (4) 0.01598 (17)
C16 0.13347 (6) 0.33720 (15) 0.17706 (4) 0.01859 (18)
H16 0.1757 0.2145 0.1715 0.022*
C17 0.03611 (7) 0.33194 (16) 0.14484 (5) 0.01923 (18)
H17 0.0121 0.2060 0.1174 0.023*
C18 −0.02636 (6) 0.51134 (15) 0.15274 (4) 0.01714 (17)
C19 0.00911 (6) 0.69858 (15) 0.19145 (5) 0.01829 (17)
H19 −0.0328 0.8227 0.1959 0.022*
C20 0.10686 (6) 0.70239 (15) 0.22366 (4) 0.01783 (17)
H20 0.1311 0.8300 0.2502 0.021*
H2O 0.3584 (15) 0.054 (3) 0.3729 (10) 0.057 (5)*
H5O −0.1591 (13) 0.580 (3) 0.1428 (9) 0.046 (4)*