#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:06:35 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181141 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/20/2222014.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_2222014_Fobs loop_ _publ_author_name 'Choi, Hong Dae' 'Seo, Pil Ja' 'Son, Byeng Wha' 'Lee, Uk' _publ_section_title ; Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate ; _journal_coeditor_code GW2062 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1240 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 77.701 _cell_angle_beta 88.074 _cell_angle_gamma 88.229 _cell_length_a 7.5424 _cell_length_b 11.2177 _cell_length_c 17.8450 _exptl_crystal_F_000 768.00 _reflns_d_resolution_high 0.7828 _cod_data_source_file gw2062Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 08-ZIS IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 320.98 _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 2090.97 2095.31 31.38 o 2 0 0 51257.50 52014.95 1206.85 o 3 0 0 19023.53 19211.18 362.03 o 4 0 0 3291.24 3451.32 58.80 o 5 0 0 5421.01 5185.79 97.96 o 6 0 0 175.68 267.34 33.09 o 7 0 0 7.08 29.00 24.75 o 8 0 0 92.21 109.79 33.45 o 9 0 0 7.51 91.91 38.60 o -9 1 0 1297.43 1217.97 70.92 o -8 1 0 24.79 13.22 29.68 o -7 1 0 870.28 856.85 51.53 o -6 1 0 1217.99 1206.25 55.46 o -5 1 0 1757.63 1802.82 62.76 o -4 1 0 3179.99 3358.72 58.67 o -2 1 0 4702.32 5043.37 87.70 o 0 1 0 431.42 462.89 12.11 o 1 1 0 5293.08 5742.58 73.40 o 2 1 0 3078.06 3299.71 64.88 o 3 1 0 55.12 82.38 9.04 o 4 1 0 10666.21 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