data_2004843 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1263 _journal_page_last 1266 _publ_section_title ; The Guaianolide 11\bH,13-Dihydromicheliolide ; _chemical_formula_moiety 'C15 H22 O3' _chemical_formula_sum 'C15 H22 O3' _chemical_formula_weight 250.34 _symmetry_cell_setting triclinic _symmetry_space_group_name_h-m 'P 1' _cell_length_a 8.5033(8) _cell_length_b 8.8856(6) _cell_length_c 10.773(1) _cell_angle_alpha 101.29(1) _cell_angle_beta 97.70(1) _cell_angle_gamma 118.42(1) _cell_volume 677.2(3) _cell_formula_units_z 2 _exptl_crystal_density_diffrn 1.228 _cell_measurement_temperature 299 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv O1A 0 0 0 0.0467(5) O2A -0.0228(3) -0.0571(2) 0.1897(2) 0.0669(7) O3A -0.0534(2) 0.2618(2) -0.1212(2) 0.0527(5) C1A -0.0774(3) -0.0988(2) -0.3707(2) 0.0362(6) C2A -0.0151(3) 0.0525(3) -0.4327(2) 0.0483(7) C3A -0.0274(4) 0.1977(3) -0.3402(2) 0.0503(7) C4A 0.0209(3) 0.1812(2) -0.2044(2) 0.0417(6) C5A -0.0845(3) -0.0262(2) -0.2315(2) 0.0340(5) C6A -0.0123(3) -0.0924(2) -0.1327(2) 0.0351(6) C7A -0.1314(3) -0.2894(2) -0.1422(2) 0.0359(6) C8A -0.1095(3) -0.4125(3) -0.2490(2) 0.0483(7) C9A -0.1974(4) -0.4276(3) -0.3868(3) 0.0553(8) C10A -0.1213(3) -0.2644(3) -0.4352(2) 0.0396(6) C11A -0.0736(3) -0.2906(2) -0.0035(2) 0.0422(6) C12A -0.0305(3) -0.1085(3) 0.0763(2) 0.0452(7) C13A -0.2097(4) -0.4446(3) 0.0382(3) 0.0605(9) C14A -0.1045(3) -0.3047(3) -0.5735(2) 0.0483(7) C15A 0.2281(4) 0.2694(3) -0.1507(3) 0.0553(8) O1B 0.4020(2) 0.6677(2) 0.1061(2) 0.0508(5) O2B 0.4767(3) 0.7420(3) -0.0721(2) 0.0864(9) O3B 0.0829(2) 0.3534(2) 0.1612(2) 0.0534(6) C1B 0.3384(3) 0.7353(3) 0.4525(2) 0.0399(6) C2B 0.2845(4) 0.5835(3) 0.5131(3) 0.0611(9) C3B 0.1521(4) 0.4166(3) 0.3989(3) 0.0575(8) C4B 0.2282(3) 0.4567(3) 0.2817(2) 0.0414(6) C5B 0.2876(3) 0.6567(2) 0.3034(2) 0.0352(6) C6B 0.4410(3) 0.7632(2) 0.2438(2) 0.0367(6) C7B 0.4691(3) 0.9435(2) 0.2378(2) 0.0360(6) C8B 0.5605(3) 1.0892(3) 0.3682(2) 0.0444(7) C9B 0.4385(4) 1.0557(3) 0.4624(3) 0.0524(8) C10B 0.4050(3) 0.9061(3) 0.5216(2) 0.0426(7) C11B 0.5693(3) 0.9756(3) 0.1310(2) 0.0445(7) C12B 0.4810(4) 0.7872(3) 0.0405(2) 0.0539(8) C13B 0.5613(5) 1.1050(3) 0.0614(3) 0.069(1) C14B 0.4356(4) 0.9589(4) 0.6690(3) 0.0586(9) C15B 0.3829(4) 0.4192(3) 0.2768(3) 0.0581(8) H3OA 0.006(4) 0.288(4) -0.040(3) 0.08(1) H3OB 0.056(4) 0.244(4) 0.153(3) 0.09(1) H141A -0.1345 -0.2357 -0.6181 0.0628 H141B 0.5488 1.0700 0.7080 0.0762 H21A -0.0947 0.0136 -0.5177 0.0627 H22A 0.1085 0.0952 -0.4389 0.0627 H31A -0.1492 0.1779 -0.3612 0.0654 H32A 0.0585 0.3128 -0.3450 0.0654 H5A -0.2074 -0.0688 -0.2236 0.0442 H6A 0.1017 -0.0706 -0.1508 0.0456 H7A -0.2611 -0.3366 -0.1696 0.0467 H81A -0.1659 -0.5287 -0.2379 0.0627 H82A 0.0191 -0.3671 -0.2398 0.0627 H91A -0.3241 -0.4673 -0.3920 0.0719 H92A -0.1888 -0.5166 -0.4456 0.0719 H11A 0.0274 -0.3099 0.0080 0.0549 H131A -0.1589 -0.4314 0.1265 0.0786 H132A -0.3223 -0.4446 0.0315 0.0786 H133A -0.2335 -0.5545 -0.0171 0.0786 H142A -0.1873 -0.4286 -0.6181 0.0628 H143A 0.0190 -0.2753 -0.5718 0.0628 H151A 0.2740 0.2136 -0.2076 0.0718 H152A 0.2866 0.3930 -0.1448 0.0718 H153A 0.2539 0.2569 -0.0660 0.0718 H21B 0.2248 0.5960 0.5796 0.0794 H22B 0.3902 0.5796 0.5494 0.0794 H31B 0.0300 0.3965 0.3850 0.0747 H32B 0.1511 0.3146 0.4145 0.0747 H5B 0.1888 0.6638 0.2579 0.0458 H6B 0.5471 0.7796 0.3008 0.0478 H7B 0.3576 0.9448 0.2177 0.0469 H81B 0.5895 1.2000 0.3528 0.0578 H82B 0.6714 1.0959 0.4077 0.0578 H91B 0.3210 1.0301 0.4162 0.0681 H92B 0.4940 1.1633 0.5328 0.0681 H11B 0.6997 1.0360 0.1664 0.0579 H131B 0.6288 1.1139 -0.0030 0.0893 H132B 0.4358 1.0628 0.0203 0.0893 H133B 0.6141 1.2197 0.1233 0.0893 H142B 0.4411 0.8693 0.7017 0.0762 H143B 0.3361 0.9707 0.6897 0.0762 H151B 0.4779 0.4877 0.3566 0.0756 H152B 0.3362 0.2952 0.2653 0.0756 H153B 0.4320 0.4508 0.2055 0.0756