#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/83/2218362.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_2218362_Fobs loop_ _publ_author_name 'Zhang, Xinli' 'Li, Zongxiao' _publ_section_title ; (E)-4-[(2-Hydroxybenzylidene)amino]benzenesulfonic acid ; _journal_coeditor_code CI2596 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1159 _journal_volume 64 _journal_year 2008 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 97.223 _cell_angle_gamma 90.000 _cell_length_a 4.8711 _cell_length_b 29.0224 _cell_length_c 9.0356 _exptl_crystal_F_000 576.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file ci2596Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 071119h in Cc' _shelx_refln_list_code 4 _shelx_F_calc_maximum 217.85 _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+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -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 3 1 -9 77.74 104.67 13.23 o 3 3 -9 58.49 32.37 15.11 o 3 5 -9 11.17 13.16 14.16 o 3 7 -9 26.63 43.07 16.76 o 3 9 -9 8.85 14.76 13.91 o 3 11 -9 34.05 38.97 16.36 o 2 16 -9 62.63 79.30 18.91 o 2 0 -8 554.70 661.87 30.12 o 4 0 -8 125.02 85.55 18.96 o 3 1 -8 79.55 57.06 10.40 o 2 2 -8 103.06 133.09 12.07 o 4 2 -8 38.04 72.55 12.99 o 3 3 -8 1.06 -7.59 6.89 o 2 4 -8 36.36 41.07 12.26 o 4 4 -8 175.66 243.53 19.56 o 3 5 -8 70.94 86.45 14.11 o 2 6 -8 5.41 -10.11 8.31 o 4 6 -8 62.11 43.20 18.04 o 3 7 -8 66.60 47.19 10.16 o 2 8 -8 26.63 26.16 11.46 o 4 8 -8 5.39 14.80 13.41 o 3 9 -8 20.44 20.76 9.14 o 2 10 -8 24.06 14.51 10.16 o 4 10 -8 48.96 80.20 19.06 o 3 11 -8 66.64 66.27 11.10 o 2 12 -8 32.58 19.81 11.36 o 1 13 -8 153.76 193.66 19.91 o 3 13 -8 41.54 53.03 16.41 o 2 14 -8 41.81 84.55 17.41 o 1 15 -8 135.85 119.52 17.86 o 3 15 -8 107.26 168.84 23.06 o 2 16 -8 49.90 21.81 12.51 o 1 17 -8 188.66 215.32 23.21 o 3 17 -8 100.61 82.00 18.66 o 2 18 -8 12.97 18.61 13.71 o 1 19 -8 105.83 110.96 19.11 o 2 20 -8 5.90 -13.91 11.26 o 1 21 -8 100.32 77.74 18.36 o 1 1 -7 908.95 923.37 57.26 o 3 1 -7 33.54 44.02 9.68 o 2 2 -7 52.68 20.85 7.16 o 4 2 -7 5.12 -8.07 7.69 o 1 3 -7 881.54 920.65 20.87 o 3 3 -7 105.54 39.84 9.25 o 2 4 -7 93.92 72.06 9.42 o 4 4 -7 16.10 5.73 9.11 o 1 5 -7 346.09 352.20 18.66 o 3 5 -7 172.99 181.75 18.13 o 2 6 -7 100.97 99.35 29.89 o 4 6 -7 111.69 97.78 13.67 o 1 7 -7 443.73 466.01 22.06 o 3 7 -7 37.04 19.90 11.76 o 2 8 -7 187.94 179.37 13.62 o 4 8 -7 51.32 84.14 12.47 o 1 9 -7 341.76 319.23 19.41 o 3 9 -7 7.57 0.15 9.61 o 2 10 -7 7.62 6.85 9.91 o 4 10 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