#------------------------------------------------------------------------------ #$Date: 2013-03-10 17:00:37 +0200 (Sun, 10 Mar 2013) $ #$Revision: 75609 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/72/2237236.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_2237236_Fobs loop_ _publ_author_name 'Hebbachi, Rabihe' 'Mousser, H\'enia' 'Mousser, Abdelhamid' _publ_section_title ; 1-[4-({4-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone ; _journal_coeditor_code TK5178 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o67 _journal_page_last o68 _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 99.004 _cell_angle_gamma 90.000 _cell_length_a 10.6950 _cell_length_b 44.4580 _cell_length_c 4.4437 _exptl_crystal_F_000 832.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file tk5178Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' import in C c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 212.63 _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 7 5 -4 79.47 74.84 26.72 o 1 1 -3 1616.40 1960.74 50.88 o 3 1 -3 603.30 618.00 18.81 o 5 1 -3 861.71 727.24 31.75 o 7 1 -3 3107.02 3096.56 87.46 o 9 1 -3 90.89 125.28 23.28 o 11 1 -3 843.25 1002.62 42.31 o 2 2 -3 31.98 31.95 4.90 o 4 2 -3 200.38 236.15 13.24 o 6 2 -3 878.28 923.19 38.58 o 8 2 -3 1.56 10.83 13.20 o 10 2 -3 150.40 82.66 22.72 o 12 2 -3 671.58 712.70 46.22 o 1 3 -3 1824.82 1818.96 59.75 o 3 3 -3 461.90 449.14 12.95 o 5 3 -3 1920.89 1955.09 58.42 o 7 3 -3 149.31 110.51 19.65 o 9 3 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