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. 2011 Jun 18;67(Pt 7):o1719–o1720. doi: 10.1107/S1600536811023014
x y z Uiso*/Ueq
O1A 0.51121 (11) 0.01893 (10) 0.13242 (4) 0.0167 (2)
O2A 0.30935 (12) 0.27866 (12) −0.03360 (5) 0.0222 (2)
O3A −0.00427 (11) 0.10581 (11) 0.13190 (5) 0.0194 (2)
O4A 0.03071 (11) 0.72025 (10) 0.14408 (5) 0.0170 (2)
O5A 0.26685 (12) 0.56744 (11) 0.18780 (5) 0.0212 (2)
C1A 0.39692 (15) 0.15892 (14) 0.05242 (6) 0.0130 (3)
C2A 0.41570 (16) 0.22544 (14) −0.00480 (6) 0.0146 (3)
C3A 0.56930 (16) 0.22129 (15) −0.02765 (6) 0.0163 (3)
H3AA 0.5662 0.3059 −0.0516 0.020*
H3AB 0.6034 0.1442 −0.0529 0.020*
C4A 0.68098 (16) 0.20643 (15) 0.01876 (6) 0.0156 (3)
C5A 0.67052 (16) 0.08554 (15) 0.06052 (6) 0.0153 (3)
H5AA 0.7132 −0.0002 0.0412 0.018*
H5AB 0.7289 0.0847 0.0944 0.018*
C6A 0.51680 (16) 0.09159 (14) 0.08028 (6) 0.0137 (3)
C7A 0.37572 (16) 0.00791 (14) 0.15400 (6) 0.0147 (3)
C8A 0.38861 (16) −0.08773 (15) 0.20637 (6) 0.0176 (3)
H8AA 0.4737 −0.0831 0.2280 0.021*
H8AB 0.4064 −0.1818 0.1943 0.021*
C9A 0.24950 (16) −0.05339 (15) 0.24603 (6) 0.0167 (3)
C10A 0.11824 (17) −0.04029 (15) 0.20912 (6) 0.0173 (3)
H10A 0.1195 −0.1320 0.1977 0.021*
H10B 0.0276 −0.0067 0.2330 0.021*
C11A 0.11168 (16) 0.05299 (14) 0.15528 (6) 0.0150 (3)
C12A 0.25000 (16) 0.07503 (14) 0.12990 (6) 0.0133 (3)
C13A 0.24385 (15) 0.17523 (14) 0.07831 (6) 0.0129 (3)
H13A 0.1811 0.1549 0.0490 0.015*
C14A 0.18013 (15) 0.32153 (14) 0.09553 (6) 0.0132 (3)
C15A 0.25380 (16) 0.37360 (14) 0.13478 (6) 0.0151 (3)
H15A 0.3402 0.3170 0.1511 0.018*
C16A 0.20193 (16) 0.50682 (15) 0.15011 (6) 0.0150 (3)
C17A 0.07316 (15) 0.59013 (14) 0.12625 (6) 0.0140 (3)
C18A −0.00021 (16) 0.53859 (14) 0.08766 (6) 0.0151 (3)
H18A −0.0873 0.5945 0.0716 0.018*
C19A 0.05405 (15) 0.40429 (14) 0.07237 (6) 0.0143 (3)
H19A 0.0037 0.3694 0.0457 0.017*
C20A −0.09712 (16) 0.80929 (15) 0.11921 (7) 0.0169 (3)
H20A −0.1143 0.9000 0.1337 0.025*
H20B −0.1820 0.7738 0.1296 0.025*
H20C −0.0825 0.8150 0.0772 0.025*
C21A 0.4031 (2) 0.48823 (19) 0.20905 (9) 0.0326 (4)
H21A 0.4398 0.5414 0.2351 0.049*
H21B 0.4740 0.4631 0.1767 0.049*
H21C 0.3891 0.4057 0.2300 0.049*
C22A 0.65038 (18) 0.33737 (16) 0.05122 (7) 0.0223 (3)
H22A 0.6608 0.4127 0.0244 0.033*
H22B 0.7203 0.3249 0.0817 0.033*
H22C 0.5505 0.3580 0.0683 0.033*
C23A 0.83548 (17) 0.17712 (16) −0.00895 (7) 0.0203 (3)
H23A 0.8439 0.2542 −0.0352 0.031*
H23B 0.8548 0.0949 −0.0305 0.031*
H23C 0.9068 0.1634 0.0211 0.031*
C24A 0.23732 (19) 0.07937 (17) 0.27513 (7) 0.0244 (3)
H24A 0.1489 0.1000 0.3004 0.037*
H24B 0.2317 0.1537 0.2457 0.037*
H24C 0.3236 0.0692 0.2979 0.037*
C25A 0.25761 (18) −0.16875 (17) 0.29255 (7) 0.0235 (3)
H25A 0.1710 −0.1456 0.3188 0.035*
H25B 0.3460 −0.1813 0.3142 0.035*
H25C 0.2610 −0.2531 0.2744 0.035*
O1B −0.06753 (11) 0.41491 (11) 0.63022 (4) 0.0175 (2)
O2B 0.17623 (12) 0.22238 (12) 0.46132 (5) 0.0258 (3)
O3B 0.43753 (12) 0.39314 (12) 0.61832 (5) 0.0246 (3)
O4B 0.48890 (11) −0.23710 (10) 0.66652 (5) 0.0195 (2)
O5B 0.23066 (11) −0.09300 (11) 0.71319 (4) 0.0182 (2)
C1B 0.06703 (16) 0.30810 (15) 0.54858 (6) 0.0156 (3)
C2B 0.06302 (17) 0.26311 (15) 0.49034 (6) 0.0177 (3)
C3B −0.08492 (17) 0.27615 (16) 0.46638 (6) 0.0195 (3)
H3BA −0.0750 0.2027 0.4398 0.023*
H3BB −0.1144 0.3638 0.4436 0.023*
C4B −0.20776 (16) 0.26930 (15) 0.51161 (6) 0.0167 (3)
C5B −0.20940 (16) 0.37152 (15) 0.55704 (6) 0.0173 (3)
H5BA −0.2512 0.4648 0.5405 0.021*
H5BB −0.2736 0.3555 0.5904 0.021*
C6B −0.06074 (16) 0.36086 (15) 0.57727 (6) 0.0157 (3)
C7B 0.05787 (16) 0.44058 (15) 0.64789 (6) 0.0160 (3)
C8B 0.02695 (17) 0.52491 (16) 0.69919 (7) 0.0187 (3)
H8BA −0.0426 0.4924 0.7262 0.022*
H8BB −0.0201 0.6205 0.6867 0.022*
C9B 0.16583 (17) 0.51902 (15) 0.73048 (6) 0.0180 (3)
C10B 0.28224 (17) 0.54196 (16) 0.68493 (7) 0.0195 (3)
H10C 0.2476 0.6339 0.6659 0.023*
H10D 0.3736 0.5379 0.7042 0.023*
C11B 0.31460 (16) 0.43762 (16) 0.63990 (7) 0.0185 (3)
C12B 0.18952 (16) 0.39419 (14) 0.62110 (6) 0.0158 (3)
C13B 0.21341 (16) 0.29660 (15) 0.57359 (6) 0.0156 (3)
H13B 0.2789 0.3248 0.5427 0.019*
C14B 0.28762 (16) 0.15174 (15) 0.59614 (6) 0.0153 (3)
C15B 0.22690 (16) 0.09184 (15) 0.64401 (6) 0.0165 (3)
H15B 0.1366 0.1405 0.6613 0.020*
C16B 0.29577 (16) −0.03643 (15) 0.66644 (6) 0.0154 (3)
C17B 0.42943 (16) −0.11082 (15) 0.64140 (6) 0.0150 (3)
C18B 0.49040 (16) −0.05217 (15) 0.59372 (6) 0.0163 (3)
H18B 0.5805 −0.1007 0.5763 0.020*
C19B 0.41944 (16) 0.07738 (15) 0.57161 (6) 0.0164 (3)
H19B 0.4621 0.1159 0.5390 0.020*
C20B 0.61663 (17) −0.31935 (16) 0.63789 (7) 0.0215 (3)
H20D 0.6444 −0.4098 0.6577 0.032*
H20E 0.6974 −0.2766 0.6385 0.032*
H20F 0.5954 −0.3278 0.5979 0.032*
C21B 0.29838 (18) −0.08858 (17) 0.76608 (7) 0.0221 (3)
H21D 0.2459 −0.1256 0.7979 0.033*
H21E 0.2950 0.0058 0.7727 0.033*
H21F 0.4006 −0.1429 0.7638 0.033*
C22B −0.18128 (19) 0.12487 (16) 0.53976 (7) 0.0226 (3)
H22D −0.1820 0.0612 0.5104 0.034*
H22E −0.2588 0.1223 0.5692 0.034*
H22F −0.0861 0.0989 0.5576 0.034*
C23B −0.35524 (18) 0.30927 (17) 0.48314 (7) 0.0227 (3)
H23D −0.3562 0.2436 0.4547 0.034*
H23E −0.3704 0.4002 0.4640 0.034*
H23G −0.4338 0.3098 0.5125 0.034*
C24B 0.22219 (19) 0.37987 (17) 0.76248 (7) 0.0246 (4)
H24D 0.1452 0.3623 0.7895 0.037*
H24G 0.3083 0.3795 0.7838 0.037*
H24E 0.2491 0.3089 0.7347 0.037*
C25B 0.13179 (19) 0.63007 (17) 0.77360 (7) 0.0226 (3)
H25D 0.0522 0.6180 0.8005 0.034*
H25E 0.1020 0.7194 0.7530 0.034*
H25F 0.2193 0.6241 0.7950 0.034*