#------------------------------------------------------------------------------ #$Date: 2009-10-12 18:56:40 +0300 (Mon, 12 Oct 2009) $ #$Revision: 830 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2223256.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_2223256_Fobs loop_ _publ_author_name 'Choi, Hong Dae' 'Seo, Pil Ja' 'Son, Byeng Wha' 'Lee, Uk' _publ_section_title ; 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran ; _journal_coeditor_code ZS2004 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2084 _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 105.989 _cell_angle_beta 114.811 _cell_angle_gamma 99.423 _cell_length_a 8.6909 _cell_length_b 9.1765 _cell_length_c 10.1308 _exptl_crystal_F_000 352.00 _reflns_d_resolution_high 0.7828 _[local]_cod_data_source_file zs2004Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 09Z IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 159.20 _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 42.71 55.30 1.32 o 2 0 0 4602.31 4485.79 50.07 o 3 0 0 2851.19 2772.07 39.88 o 4 0 0 1257.58 1247.59 19.23 o 5 0 0 451.21 442.10 6.77 o 6 0 0 26.10 28.04 7.04 o 7 0 0 184.71 200.48 6.48 o 8 0 0 68.19 74.81 7.54 o 9 0 0 2.25 -6.41 4.27 o -9 1 0 77.97 85.93 8.04 o -8 1 0 436.45 453.28 15.33 o -7 1 0 583.18 593.21 17.09 o -6 1 0 92.55 99.40 4.22 o -5 1 0 1584.73 1592.35 19.46 o -4 1 0 3422.37 3443.67 39.28 o -3 1 0 60.47 52.01 1.64 o -2 1 0 63.48 74.34 1.53 o -1 1 0 1939.42 1934.21 26.63 o 0 1 0 19.90 24.11 0.52 o 1 1 0 11613.89 11569.13 178.76 o 2 1 0 117.72 122.33 3.31 o 3 1 0 1226.52 1195.38 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