#------------------------------------------------------------------------------ #$Date: 2013-03-10 17:00:37 +0200 (Sun, 10 Mar 2013) $ #$Revision: 75609 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/71/2237122.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_2237122_Fobs loop_ _publ_author_name 'Chaithanya, U.' 'Foro, Sabine' 'Gowda, B. Thimme' _publ_section_title ; N-(4-Chlorophenyl)-4-nitrobenzenesulfonamide ; _journal_coeditor_code BT6873 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o7 _journal_volume 69 _journal_year 2013 _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 94.194 _cell_angle_gamma 90.000 _cell_length_a 5.0881 _cell_length_b 13.0313 _cell_length_c 19.8860 _exptl_crystal_F_000 640.00 _reflns_d_resolution_high 0.8001 _[local]_cod_data_source_file bt6873Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CNS11 CC' _shelx_refln_list_code 4 _shelx_f_calc_maximum 197.03 _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 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27.93 9.42 o -3 7 -8 200.27 176.90 10.39 o -1 7 -8 488.49 477.58 10.37 o 1 7 -8 261.86 277.80 9.80 o -4 8 -8 51.13 44.69 9.38 o -2 8 -8 537.32 502.82 12.85 o 0 8 -8 581.06 590.48 8.38 o -3 9 -8 370.25 379.35 9.82 o -1 9 -8 2025.08 2020.57 26.05 o 1 9 -8 364.02 383.95 12.20 o -4 10 -8 7.24 -2.48 6.56 o -2 10 -8 184.70 174.15 13.18 o 0 10 -8 241.89 242.51 12.59 o -3 11 -8 60.65 79.07 12.27 o -1 11 -8 192.78 198.65 13.22 o -2 12 -8 187.57 195.50 14.10 o 0 12 -8 184.14 186.60 12.68 o -3 13 -8 146.20 138.34 14.20 o -1 13 -8 29.59 49.76 11.92 o -2 14 -8 53.68 45.56 13.05 o -1 15 -8 71.77 45.28 12.85 o -5 1 -7 142.41 167.53 20.34 o -3 1 -7 3001.71 2863.06 31.28 o -1 1 -7 7083.47 7026.17 19.11 o 1 1 -7 4445.36 4216.85 20.19 o 3 1 -7 1205.71 1224.31 13.99 o -4 2 -7 85.98 99.72 6.50 o -2 2 -7 3531.35 3529.33 28.82 o -5 3 -7 74.20 80.04 17.18 o -3 3 -7 99.09 95.46 5.84 o -1 3 -7 1943.83 1882.16 11.84 o 1 3 -7 3685.72 3752.22 21.60 o -4 4 -7 157.24 157.08 6.75 o -2 4 -7 36.23 45.86 5.74 o 0 4 -7 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