data_global _chemical_name_mineral 'Ylid' loop_ _publ_author_name 'Christensen A T' 'Thom E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 27 _journal_year 1971 _journal_page_first 581 _journal_page_last 586 _publ_section_title ; The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione ; _database_code_amcsd 0009387 _chemical_formula_sum 'C11 O2 S H10' _cell_length_a 18.331 _cell_length_b 9.012 _cell_length_c 5.949 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 982.769 _exptl_crystal_density_diffrn 1.394 _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 C1 0.10008 -0.05523 0.18330 ? C2 0.07783 -0.12614 0.38522 ? C3 0.12478 -0.24872 0.43920 ? C4 0.18203 -0.24824 0.26019 ? C5 0.24261 -0.33758 0.23448 ? C6 0.28770 -0.31158 0.05134 ? C7 0.27250 -0.20004 0.89875 ? C8 0.21165 -0.10923 0.92521 ? C9 0.16740 -0.13548 0.10749 ? O10 0.07282 0.05253 0.08495 ? O11 0.12074 -0.33904 0.59239 ? S12 0.00963 -0.06841 0.55985 ? C13 -0.07276 -0.07369 0.40039 ? C14 0.02129 0.12778 0.58522 ? H15 0.19930 -0.03881 0.80885 0.03293 H16 0.30718 -0.19207 0.75411 0.05129 H17 0.33384 -0.37029 0.02650 0.02634 H18 0.25517 -0.41118 0.35533 0.05560 H19 0.02535 0.16566 0.42299 0.02799 H20 0.07654 0.14432 0.68686 0.04142 H21 -0.02535 0.16008 0.67677 0.01950 H22 -0.08700 -0.16705 0.36148 0.04357 H23 -0.11177 -0.03064 0.51986 0.07738 H24 -0.06271 -0.03427 0.24319 0.03103 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 C1 0.03915 0.03773 0.03672 -0.00151 -0.00215 -0.00239 C2 0.03473 0.03707 0.03749 0.00285 0.00376 0.00038 C3 0.03558 0.03304 0.04520 -0.00084 -0.00050 -0.00187 C4 0.03507 0.03279 0.05002 -0.00209 0.00238 -0.00391 C5 0.03847 0.04139 0.07041 0.00226 0.00552 -0.00177 C6 0.04171 0.04974 0.08839 -0.00109 0.01773 -0.01570 C7 0.05005 0.05583 0.06420 -0.00527 0.02177 -0.01114 C8 0.04801 0.05065 0.04584 -0.00285 0.01072 -0.00416 C9 0.03660 0.03724 0.03925 -0.00552 0.00276 -0.00682 O10 0.05822 0.05053 0.04317 0.01188 0.00304 0.01100 O11 0.05447 0.04481 0.05813 0.00745 0.00895 0.01518 S12 0.03779 0.03255 0.03762 0.00360 0.00784 0.00492 C13 0.03864 0.05838 0.08674 0.00126 -0.00718 -0.00785 C14 0.06673 0.03493 0.05090 -0.00008 0.01127 -0.00885