#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2215405.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_2215405_Fobs loop_ _publ_author_name 'Choi, Hong Dae' 'Seo, Pil Ja' 'Son, Byeng Wha' 'Lee, Uk' _publ_section_title ; Ethyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate ; _journal_coeditor_code CF2138 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4081 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.629 _cell_angle_beta 78.623 _cell_angle_gamma 65.370 _cell_length_a 8.4311 _cell_length_b 9.8128 _cell_length_c 10.0299 _exptl_crystal_F_000 384.00 _reflns_d_resolution_high 0.7828 _[local]_cod_data_source_file cf2138Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 07W IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 176.71 _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 0 629.61 608.65 9.53 o 2 0 0 7728.37 7720.71 133.42 o 3 0 0 3949.94 3883.38 81.50 o 4 0 0 5348.02 5253.83 61.56 o 5 0 0 6829.29 6745.00 78.88 o 6 0 0 80.15 93.51 5.03 o 7 0 0 2774.23 2650.26 184.17 o 8 0 0 82.05 73.59 6.96 o 9 0 0 584.50 598.47 20.26 o -9 1 0 25.65 21.87 6.08 o -8 1 0 472.46 483.10 17.48 o -7 1 0 99.42 94.91 7.08 o -6 1 0 1506.04 1502.02 20.43 o -5 1 0 146.12 155.87 7.56 o -4 1 0 3548.35 3641.75 43.62 o -3 1 0 1160.32 1095.84 14.28 o -2 1 0 28.78 59.28 1.98 o -1 1 0 14183.38 13320.01 393.82 o 0 1 0 1020.21 1072.69 13.17 o 1 1 0 6574.27 6716.97 82.73 o 2 1 0 2864.89 3026.06 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