#------------------------------------------------------------------------------ #$Date: 2011-10-07 16:37:56 +0300 (Fri, 07 Oct 2011) $ #$Revision: 27934 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/17/2231735.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_2231735_Fobs loop_ _publ_author_name 'Huang, Xing' 'Ren, Li-Hong' 'Yin, Rong-Hua' 'Gao, Feng' _publ_section_title ; 4-Benzyloxy-2-bromo-1-methoxybenzene ; _journal_coeditor_code XU5279 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2330 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.401 _cell_angle_gamma 90.000 _cell_length_a 6.1415 _cell_length_b 8.2635 _cell_length_c 25.2869 _exptl_crystal_F_000 592.00 _reflns_d_resolution_high 0.8003 _[local]_cod_data_source_file xu5279Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1107s3gf1 in P21/c ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 149.74 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 -7 0 -10 105.00 74.86 68.52 o -7 0 -8 38.53 9.32 51.91 o -7 0 -6 49.72 76.17 50.52 o -7 0 -4 71.96 66.22 36.90 o -7 0 -2 39.83 42.24 57.19 o -7 0 0 9.09 15.33 37.91 o -7 0 2 11.25 28.52 40.36 o -7 0 4 18.29 25.54 39.91 o -7 0 6 81.81 111.35 38.96 o -7 0 8 139.44 143.93 33.35 o -7 0 10 88.15 119.60 38.26 o -7 0 12 41.33 66.58 39.12 o -7 0 14 77.91 31.19 62.55 o -7 1 -10 8.23 -3.39 43.55 o -7 -1 -9 9.25 29.31 41.88 o -7 -1 -8 11.82 38.21 40.30 o -7 1 -7 24.17 17.45 40.81 o -7 1 -6 47.87 -6.13 44.97 o -7 -1 -5 34.77 27.47 34.65 o -7 1 -4 74.66 74.62 36.73 o -7 1 -3 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