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. 2009 Jan 31;65(Pt 2):o424. doi: 10.1107/S1600536809003298
x y z Uiso*/Ueq Occ. (<1)
C1 0.22298 (16) 0.5733 (3) 0.30577 (10) 0.0181 (4)
C2 0.19154 (16) 0.5148 (3) 0.23723 (10) 0.0218 (5)
H2 0.2435 0.4795 0.2189 0.026*
C3 0.08502 (17) 0.5086 (3) 0.19644 (11) 0.0239 (5)
H3 0.0638 0.4695 0.1500 0.029*
C4 0.00858 (16) 0.5596 (3) 0.22337 (10) 0.0202 (5)
C5 0.03873 (16) 0.6186 (3) 0.29139 (10) 0.0204 (5)
H5 −0.0132 0.6530 0.3099 0.024*
C6 0.14626 (17) 0.6261 (3) 0.33158 (10) 0.0211 (5)
H6 0.1676 0.6683 0.3777 0.025*
C7 0.33624 (16) 0.5860 (3) 0.35119 (10) 0.0189 (4)
O1 0.36934 (12) 0.6558 (2) 0.40736 (7) 0.0245 (4)
O2 0.40082 (11) 0.5073 (2) 0.32137 (7) 0.0231 (4)
C8 0.51107 (16) 0.5074 (3) 0.35729 (10) 0.0198 (5)
C9 0.55644 (17) 0.4315 (3) 0.42229 (11) 0.0218 (5)
H9 0.5133 0.3826 0.4453 0.026*
C10 0.66633 (16) 0.4284 (3) 0.45304 (11) 0.0201 (4)
H10 0.6987 0.3783 0.4979 0.024*
C11 0.72990 (16) 0.4980 (3) 0.41892 (10) 0.0174 (4)
C12 0.68191 (16) 0.5711 (3) 0.35287 (10) 0.0191 (4)
H12 0.7246 0.6174 0.3291 0.023*
C13 0.57211 (17) 0.5762 (3) 0.32203 (10) 0.0210 (5)
H13 0.5392 0.6262 0.2772 0.025*
C14 0.84738 (16) 0.4969 (3) 0.45311 (10) 0.0182 (4)
O3 0.88859 (12) 0.4343 (2) 0.51339 (7) 0.0257 (4)
H3O 0.9550 0.4364 0.5257 0.038* 0.50
O4 0.90241 (12) 0.5614 (2) 0.41929 (8) 0.0258 (4)
H4O 0.9671 0.5599 0.4443 0.039* 0.50
O5 −0.09388 (11) 0.5459 (2) 0.17868 (7) 0.0249 (4)
C15 −0.17837 (16) 0.5852 (3) 0.20264 (10) 0.0205 (5)
H15A −0.1738 0.7146 0.2188 0.025*
H15B −0.1743 0.5023 0.2412 0.025*
C16 −0.28096 (16) 0.5541 (3) 0.14232 (10) 0.0196 (4)
H16A −0.2839 0.4239 0.1273 0.024*
H16B −0.2814 0.6332 0.1036 0.024*
C17 −0.37919 (16) 0.5958 (3) 0.15880 (10) 0.0214 (5)
H17A −0.3764 0.7258 0.1740 0.026*
H17B −0.3792 0.5161 0.1973 0.026*
C18 −0.48182 (16) 0.5646 (3) 0.09742 (10) 0.0212 (5)
H18A −0.4790 0.6383 0.0582 0.025*
H18B −0.4857 0.4329 0.0841 0.025*
C19 −0.58294 (16) 0.6147 (3) 0.10966 (10) 0.0219 (5)
H19A −0.5865 0.5417 0.1488 0.026*
H19B −0.5806 0.7470 0.1221 0.026*
C20 −0.68233 (16) 0.5782 (3) 0.04655 (10) 0.0205 (5)
H20A −0.6752 0.6432 0.0068 0.025*
H20B −0.6864 0.4443 0.0364 0.025*
C21 −0.78576 (17) 0.6380 (4) 0.05333 (11) 0.0264 (5)
H21A −0.7825 0.7718 0.0635 0.032*
H21B −0.7944 0.5718 0.0924 0.032*
C22 −0.88171 (17) 0.5991 (3) −0.01178 (12) 0.0261 (5)
H22A −0.8708 0.6557 −0.0513 0.039*
H22B −0.9456 0.6510 −0.0070 0.039*
H22C −0.8904 0.4654 −0.0189 0.039*