#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/54/2215489.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_2215489_Fobs loop_ _publ_author_name 'Choi, Hong Dae' 'Seo, Pil Ja' 'Son, Byeng Wha' 'Lee, Uk' _publ_section_title ; 7-Bromo-2-methyl-1-(phenylsulfanyl)naphtho[2,1-b]furan ; _journal_coeditor_code GK2104 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4102 _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 112.798 _cell_angle_beta 91.999 _cell_angle_gamma 90.908 _cell_length_a 10.9470 _cell_length_b 11.1300 _cell_length_c 13.6357 _exptl_crystal_F_000 744.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file gk2104Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 07CS IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 332.25 _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 20.13 41.23 3.44 o 2 0 0 18797.74 16339.13 446.50 o 3 0 0 196.39 192.52 18.12 o 4 0 0 6086.41 5653.12 124.85 o 5 0 0 3303.66 3372.44 75.74 o 6 0 0 2087.76 1954.50 45.58 o 7 0 0 1.27 -1.81 7.21 o 8 0 0 23.45 19.89 8.74 o 9 0 0 550.58 552.84 20.01 o 10 0 0 160.64 253.25 22.90 o 11 0 0 1069.81 1186.37 61.84 o 12 0 0 399.74 424.85 38.93 o 13 0 0 2.40 18.32 28.63 o -12 1 0 368.41 379.04 38.93 o -11 1 0 91.00 113.37 26.34 o -10 1 0 133.99 159.84 17.81 o -9 1 0 296.65 321.18 21.05 o -8 1 0 4653.19 4946.79 111.64 o -7 1 0 1458.01 1442.86 40.75 o -6 1 0 2411.70 2134.77 49.53 o -5 1 0 2627.80 2453.31 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