#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/99/2229940.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2229940_Fobs loop_ _publ_author_name 'Choi, Hong Dae' 'Seo, Pil Ja' 'Son, Byeng Wha' 'Lee, Uk' _publ_section_title ; 3-(4-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran ; _journal_coeditor_code BV2179 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1082 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 71.315 _cell_angle_beta 80.838 _cell_angle_gamma 70.485 _cell_length_a 9.0845 _cell_length_b 9.2761 _cell_length_c 10.1252 _exptl_crystal_F_000 404.00 _reflns_d_resolution_high 0.7698 _[local]_cod_data_source_file bv2179Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1059 IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 189.38 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 722.15 766.00 9.19 o 2 0 0 0.43 4.73 0.32 o 3 0 0 2217.42 2291.17 25.95 o 4 0 0 4621.47 4838.27 56.62 o 5 0 0 2943.77 3028.84 39.36 o 6 0 0 573.18 590.72 10.56 o 7 0 0 105.36 106.49 3.38 o 8 0 0 350.04 350.59 10.37 o 9 0 0 203.40 199.96 5.53 o 10 0 0 82.81 81.49 3.98 o 11 0 0 0.26 0.42 1.65 o -10 1 0 11.75 8.99 1.99 o -9 1 0 100.36 98.68 4.06 o -8 1 0 43.49 44.58 2.10 o -7 1 0 1890.49 1914.42 31.43 o -6 1 0 142.27 143.65 5.80 o -5 1 0 78.27 79.10 1.89 o -4 1 0 1807.22 1766.02 23.86 o -3 1 0 2785.53 2897.02 33.88 o -2 1 0 1541.55 1535.93 20.23 o -1 1 0 1940.79 1973.31 47.36 o 0 1 0 2056.94 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