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. 2012 Jul 7;68(Pt 8):o2367–o2368. doi: 10.1107/S160053681203005X
x y z Uiso*/Ueq
O1 0.41955 (4) 0.43646 (3) −0.11953 (4) 0.01606 (10)
O2 0.12092 (4) 0.39264 (4) 0.24042 (6) 0.02378 (13)
O3 0.35506 (4) 0.19277 (3) 0.24263 (5) 0.01785 (11)
O4 0.18491 (3) 0.32355 (3) 0.50833 (5) 0.01370 (10)
O5 0.32107 (3) 0.36949 (3) 0.53699 (4) 0.01306 (10)
C1 0.38478 (5) 0.41214 (5) −0.22594 (6) 0.01835 (14)
H1A 0.4187 0.4321 −0.2894 0.028*
H1B 0.3262 0.4299 −0.2328 0.028*
H1C 0.3855 0.3578 −0.2289 0.028*
C2 0.38251 (4) 0.40829 (4) −0.02218 (5) 0.01168 (11)
C3 0.42230 (5) 0.42661 (4) 0.08114 (6) 0.01375 (12)
H3A 0.4718 0.4567 0.0811 0.016*
C4 0.38909 (4) 0.40059 (4) 0.18390 (6) 0.01299 (11)
H4A 0.4165 0.4130 0.2540 0.016*
C5 0.31611 (4) 0.35644 (4) 0.18628 (5) 0.01067 (11)
C6 0.27766 (4) 0.33891 (4) 0.08261 (6) 0.01223 (11)
H6A 0.2279 0.3092 0.0828 0.015*
C7 0.31024 (4) 0.36386 (4) −0.02199 (6) 0.01273 (11)
H7A 0.2834 0.3507 −0.0921 0.015*
C8 0.27857 (4) 0.33101 (4) 0.30012 (5) 0.01100 (11)
H8A 0.2310 0.2958 0.2841 0.013*
C9 0.34387 (4) 0.29187 (4) 0.37349 (5) 0.01071 (11)
C10 0.37999 (4) 0.22215 (4) 0.33249 (6) 0.01227 (11)
C11 0.44481 (5) 0.18319 (4) 0.40660 (6) 0.01532 (12)
H11A 0.4845 0.1553 0.3568 0.018*
H11B 0.4155 0.1470 0.4568 0.018*
C12 0.49507 (5) 0.23714 (4) 0.48070 (6) 0.01564 (12)
H12A 0.5300 0.2698 0.4312 0.019*
H12B 0.5337 0.2092 0.5320 0.019*
C13 0.43452 (4) 0.28408 (4) 0.55218 (6) 0.01375 (12)
H13A 0.4103 0.2532 0.6144 0.016*
H13B 0.4664 0.3253 0.5882 0.016*
C14 0.36412 (4) 0.31523 (4) 0.48106 (6) 0.01110 (11)
C15 0.23657 (4) 0.38542 (4) 0.49304 (6) 0.01137 (11)
C16 0.20491 (5) 0.45323 (4) 0.55788 (6) 0.01448 (12)
H16A 0.2459 0.4945 0.5488 0.017*
H16B 0.2004 0.4415 0.6407 0.017*
C17 0.11806 (5) 0.47705 (4) 0.51201 (7) 0.01725 (13)
H17A 0.1003 0.5234 0.5509 0.021*
H17B 0.0758 0.4382 0.5303 0.021*
C18 0.11950 (5) 0.48996 (5) 0.38134 (7) 0.02103 (15)
H18A 0.0610 0.4990 0.3537 0.025*
H18B 0.1538 0.5346 0.3640 0.025*
C19 0.15647 (5) 0.42367 (4) 0.31926 (6) 0.01632 (13)
C20 0.24286 (4) 0.39890 (4) 0.36411 (6) 0.01216 (11)
H20A 0.2833 0.4409 0.3521 0.015*
H1O4 0.1773 (11) 0.3167 (9) 0.5830 (15) 0.044 (4)*