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. 2010 Nov 27;66(Pt 12):o3319. doi: 10.1107/S1600536810047562
x y z Uiso*/Ueq
O1 0.6059 (3) 0.7225 (2) 0.47254 (6) 0.0246 (5)
O2 0.7919 (3) 0.6104 (3) 0.35691 (7) 0.0269 (6)
O3 0.5491 (3) 0.5711 (2) 0.31240 (6) 0.0184 (5)
O4 0.4301 (4) 0.3889 (3) 0.28401 (7) 0.0398 (7)
O5 0.2412 (3) 0.4687 (2) 0.36445 (6) 0.0189 (5)
O6 0.2372 (3) 0.6543 (2) 0.32229 (6) 0.0186 (5)
O7 0.2550 (3) 0.9818 (2) 0.32957 (6) 0.0223 (5)
O8 0.0416 (3) 0.9541 (3) 0.40687 (7) 0.0329 (6)
O9 0.8945 (3) 0.6682 (3) 0.27882 (8) 0.0436 (7)
N1 0.4624 (3) 0.4363 (3) 0.43288 (7) 0.0173 (6)
C1 0.6960 (4) 0.6670 (3) 0.44119 (9) 0.0231 (7)
H1 0.7796 0.7371 0.4345 0.028*
C2 0.7798 (4) 0.5360 (4) 0.45604 (10) 0.0271 (8)
H2A 0.8683 0.5645 0.4728 0.033*
H2B 0.7041 0.4806 0.4714 0.033*
C3 0.8446 (4) 0.4447 (4) 0.42437 (10) 0.0271 (8)
H3A 0.8870 0.3568 0.4353 0.033*
H3B 0.9332 0.4940 0.4116 0.033*
C4 0.7166 (4) 0.4097 (3) 0.39515 (9) 0.0214 (7)
C5 0.6632 (4) 0.5480 (3) 0.37573 (9) 0.0182 (7)
C6 0.5217 (4) 0.5115 (3) 0.34940 (8) 0.0161 (6)
H6 0.5173 0.4074 0.3466 0.019*
C7 0.3717 (4) 0.5591 (3) 0.37131 (9) 0.0151 (6)
C8 0.3050 (4) 0.7005 (3) 0.35823 (9) 0.0180 (7)
C9 0.4386 (4) 0.8063 (3) 0.35323 (8) 0.0161 (6)
H9 0.4963 0.7901 0.3288 0.019*
C10 0.5551 (4) 0.7971 (3) 0.38791 (9) 0.0191 (7)
H10 0.6599 0.8331 0.3789 0.023*
C11 0.5873 (4) 0.6482 (3) 0.40582 (9) 0.0169 (7)
C12 0.4868 (5) 0.9106 (3) 0.41606 (9) 0.0287 (8)
H12A 0.4622 0.8675 0.4409 0.034*
H12B 0.5654 0.9862 0.4200 0.034*
C13 0.3358 (4) 0.9694 (3) 0.39794 (9) 0.0255 (8)
H13 0.3195 1.0693 0.4054 0.031*
C14 0.3782 (4) 0.9577 (3) 0.35576 (9) 0.0204 (7)
H14 0.4680 1.0229 0.3501 0.024*
C15 0.1656 (4) 0.7551 (3) 0.38249 (10) 0.0232 (7)
H15B 0.0782 0.7794 0.3649 0.028*
H15A 0.1278 0.6763 0.3983 0.028*
C16 0.1906 (4) 0.8800 (3) 0.40873 (9) 0.0257 (8)
H16 0.2056 0.8445 0.4352 0.031*
C17 0.4316 (4) 0.5675 (3) 0.41273 (8) 0.0158 (6)
H17 0.3575 0.6267 0.4280 0.019*
C18 0.7886 (4) 0.3079 (4) 0.36619 (10) 0.0284 (8)
H18B 0.8907 0.3444 0.3573 0.043*
H18C 0.7162 0.2978 0.3446 0.043*
H18A 0.8047 0.2164 0.3782 0.043*
C19 0.5701 (4) 0.3402 (3) 0.41337 (9) 0.0202 (7)
H19B 0.5099 0.2908 0.3933 0.024*
H19A 0.6069 0.2690 0.4318 0.024*
C20 0.3177 (4) 0.3659 (3) 0.44604 (9) 0.0234 (7)
H20B 0.2703 0.3131 0.4247 0.028*
H20A 0.2397 0.4371 0.4543 0.028*
C21 0.3508 (5) 0.2660 (4) 0.47871 (10) 0.0301 (8)
H21C 0.4115 0.1856 0.4694 0.045*
H21B 0.2502 0.2336 0.4895 0.045*
H21A 0.4122 0.3146 0.4983 0.045*
C22 0.6932 (5) 0.8197 (4) 0.49485 (10) 0.0325 (9)
H22B 0.7969 0.7796 0.5012 0.049*
H22A 0.6346 0.8399 0.5182 0.049*
H22C 0.7084 0.9064 0.4805 0.049*
C23 0.4946 (4) 0.5004 (3) 0.28192 (9) 0.0241 (7)
C24 0.5246 (5) 0.5798 (4) 0.24627 (9) 0.0305 (9)
H24C 0.5160 0.5165 0.2245 0.046*
H24A 0.6313 0.6204 0.2471 0.046*
H24B 0.4460 0.6549 0.2438 0.046*
C25 0.1621 (4) 0.5249 (3) 0.33175 (9) 0.0215 (7)
H25B 0.1700 0.4587 0.3102 0.026*
H25A 0.0484 0.5406 0.3374 0.026*
C26 0.2066 (5) 1.1253 (3) 0.32951 (10) 0.0296 (8)
H26A 0.1479 1.1457 0.3529 0.044*
H26C 0.1383 1.1429 0.3075 0.044*
H26B 0.3006 1.1856 0.3281 0.044*
C27 0.0114 (5) 1.0354 (4) 0.43882 (11) 0.0390 (9)
H27A 0.0191 0.9770 0.4616 0.059*
H27C −0.0955 1.0752 0.4370 0.059*
H27B 0.0895 1.1112 0.4403 0.059*
C28 0.9445 (5) 0.7871 (4) 0.27569 (11) 0.0359 (9)
C29 1.0840 (5) 0.8220 (5) 0.25177 (11) 0.0398 (10)
H29C 1.1123 0.7409 0.2362 0.060*
H29A 1.1739 0.8469 0.2681 0.060*
H29B 1.0580 0.9013 0.2353 0.060*
C30 0.8676 (6) 0.9039 (5) 0.29680 (14) 0.0504 (12)
H30B 0.7676 0.8711 0.3079 0.076*
H30C 0.8460 0.9814 0.2793 0.076*
H30A 0.9384 0.9361 0.3171 0.076*
H2 0.769 (5) 0.618 (5) 0.3296 (13) 0.059 (14)*