data_global _chemical_name_mineral 'Artesunate' loop_ _publ_author_name 'Lisgarte J N' 'Potter B' 'Palmer R A' 'Chimanuka B' 'Aymami J' _journal_name_full 'Journal of Chemical Crystallography' _journal_volume 32 _journal_year 2002 _journal_page_first 43 _journal_page_last 48 _publ_section_title ; Structure, absolute configuration, and conformation of the antimalarial drug artesunate ; _database_code_amcsd 0020945 _chemical_formula_sum 'O8 C19' _cell_length_a 9.837 _cell_length_b 10.517 _cell_length_c 18.7594 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1940.767 _exptl_crystal_density_diffrn 1.219 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv O(4) 0.75470 0.51820 0.15800 0.06800 O(5) 0.74310 0.30720 0.14560 0.06600 O(2) 0.49280 0.64030 0.12740 0.07100 O(6) 0.96960 0.30460 0.16000 0.07900 C(12) 0.75140 0.42220 0.10540 0.06000 O(3) 0.73770 0.71920 0.19600 0.07300 C(5) 0.73950 0.64630 0.13360 0.05900 O(7) 0.96580 -0.01450 0.13850 0.08900 C(11) 0.62620 0.43030 0.05950 0.06300 O(1) 0.51940 0.63930 0.20460 0.08300 C(6) 0.61620 0.66360 0.08680 0.05700 C(1) 0.60430 0.80010 0.05730 0.06700 O(8) 1.14790 -0.02700 0.20590 0.08000 C(8) 0.71880 0.59390 -0.03020 0.06700 C(7) 0.61440 0.56390 0.02750 0.05700 C(19) 1.02030 0.01300 0.19350 0.06600 C(16) 0.86110 0.26270 0.17420 0.06200 C(9) 0.69620 0.72560 -0.06030 0.07000 C(10) 0.70410 0.82760 -0.00340 0.07100 C(2) 0.61310 0.90050 0.11660 0.08500 C(17) 0.82930 0.15760 0.22570 0.06900 C(13) 0.62150 0.32400 0.00450 0.09500 C(3) 0.54980 0.86790 0.18740 0.09200 C(4) 0.60150 0.74600 0.22090 0.08200 C(14) 0.68290 0.95860 -0.03700 0.10500 C(18) 0.95680 0.09120 0.25100 0.07200 C(15) 0.60910 0.74570 0.30210 0.11700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O(4) 0.07900 0.06600 0.05800 0.00300 -0.01400 -0.00100 O(5) 0.06300 0.06300 0.07300 0.00300 -0.00700 0.01200 O(2) 0.05900 0.07900 0.07500 -0.00200 0.00700 -0.00200 O(6) 0.06700 0.08300 0.08600 0.00200 -0.00100 0.01300 C(12) 0.06600 0.05700 0.05800 -0.00200 0.00000 0.00100 O(3) 0.07000 0.08100 0.06700 -0.00100 -0.00300 -0.02200 C(5) 0.05900 0.06600 0.05300 0.00000 -0.00300 -0.00800 O(7) 0.08500 0.11800 0.06400 0.00900 -0.00900 -0.02000 C(11) 0.06800 0.05800 0.06100 -0.00400 -0.01200 0.00300 O(1) 0.08000 0.09300 0.07600 -0.01100 0.01600 -0.01300 C(6) 0.04900 0.05800 0.06500 0.00100 -0.00200 -0.00200 C(1) 0.05900 0.05900 0.08500 0.00500 -0.00300 0.00300 O(8) 0.08000 0.09700 0.06400 0.02100 -0.00600 -0.00600 C(8) 0.07400 0.06900 0.05900 0.00200 -0.00200 -0.00100 C(7) 0.05500 0.06100 0.05500 -0.00100 -0.00500 0.00200 C(19) 0.07300 0.07600 0.04900 0.00600 -0.00200 0.00200 C(16) 0.06700 0.06200 0.05800 0.00900 0.00000 -0.00100 C(9) 0.06700 0.07200 0.07000 -0.00600 -0.00300 0.01300 C(10) 0.06100 0.06600 0.08700 0.00000 -0.00600 0.01400 C(2) 0.08100 0.06500 0.11000 0.00500 -0.00100 -0.01700 C(17) 0.07400 0.07400 0.05800 0.00700 -0.00300 0.00800 C(13) 0.13800 0.06300 0.08300 -0.00600 -0.03100 -0.00600 C(3) 0.08500 0.08000 0.11100 0.01100 0.01100 -0.02800 C(4) 0.07600 0.09000 0.07900 0.00100 0.01300 -0.02000 C(14) 0.11500 0.07000 0.12800 0.00200 0.00900 0.02700 C(18) 0.08300 0.08000 0.05200 0.02100 0.00000 0.00100 C(15) 0.13100 0.14400 0.07600 -0.00700 0.02300 -0.04100