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Artesunate |
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Lisgarte J N, Potter B, Palmer R A, Chimanuka B, Aymami J |
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Journal of Chemical Crystallography 32 (2002) 43-48 |
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Structure, absolute configuration, and conformation of the |
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antimalarial drug artesunate |
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_database_code_amcsd 0020945 |
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9.837 10.517 18.7594 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O(4) .7547 .5182 .1580 .068 .079 .066 .058 .003 -.014 -.001 |
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O(5) .7431 .3072 .1456 .066 .063 .063 .073 .003 -.007 .012 |
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O(2) .4928 .6403 .1274 .071 .059 .079 .075 -.002 .007 -.002 |
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O(6) .9696 .3046 .1600 .079 .067 .083 .086 .002 -.001 .013 |
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C(12) .7514 .4222 .1054 .060 .066 .057 .058 -.002 0 .001 |
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O(3) .7377 .7192 .1960 .073 .070 .081 .067 -.001 -.003 -.022 |
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C(5) .7395 .6463 .1336 .059 .059 .066 .053 0 -.003 -.008 |
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O(7) .9658 -.0145 .1385 .089 .085 .118 .064 .009 -.009 -.020 |
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C(11) .6262 .4303 .0595 .063 .068 .058 .061 -.004 -.012 .003 |
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O(1) .5194 .6393 .2046 .083 .080 .093 .076 -.011 .016 -.013 |
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C(6) .6162 .6636 .0868 .057 .049 .058 .065 .001 -.002 -.002 |
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C(1) .6043 .8001 .0573 .067 .059 .059 .085 .005 -.003 .003 |
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O(8) 1.1479 -.0270 .2059 .080 .080 .097 .064 .021 -.006 -.006 |
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C(8) .7188 .5939 -.0302 .067 .074 .069 .059 .002 -.002 -.001 |
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C(7) .6144 .5639 .0275 .057 .055 .061 .055 -.001 -.005 .002 |
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C(19) 1.0203 .0130 .1935 .066 .073 .076 .049 .006 -.002 .002 |
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C(16) .8611 .2627 .1742 .062 .067 .062 .058 .009 0 -.001 |
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C(9) .6962 .7256 -.0603 .070 .067 .072 .070 -.006 -.003 .013 |
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C(10) .7041 .8276 -.0034 .071 .061 .066 .087 0 -.006 .014 |
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C(2) .6131 .9005 .1166 .085 .081 .065 .110 .005 -.001 -.017 |
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C(17) .8293 .1576 .2257 .069 .074 .074 .058 .007 -.003 .008 |
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C(13) .6215 .3240 .0045 .095 .138 .063 .083 -.006 -.031 -.006 |
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C(3) .5498 .8679 .1874 .092 .085 .080 .111 .011 .011 -.028 |
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C(4) .6015 .7460 .2209 .082 .076 .090 .079 .001 .013 -.020 |
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C(14) .6829 .9586 -.0370 .105 .115 .070 .128 .002 .009 .027 |
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C(18) .9568 .0912 .2510 .072 .083 .080 .052 .021 0 .001 |
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C(15) .6091 .7457 .3021 .117 .131 .144 .076 -.007 .023 -.041 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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