#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:16:39 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180842 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/73/2017343.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_2017343_Fobs loop_ _publ_author_name 'Gotoh, Kazuma' 'Ishida, Hiroyuki' _publ_section_title ; Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid ; _journal_coeditor_code GD3308 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o534 _journal_page_last o538 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 75.861 _cell_angle_beta 89.207 _cell_angle_gamma 79.842 _cell_length_a 6.9254 _cell_length_b 7.4746 _cell_length_c 14.3098 _exptl_crystal_F_000 340.00 _reflns_d_resolution_high 0.7110 _cod_data_source_file gd3308Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 08031109' _shelx_refln_list_code 4 _shelx_f_calc_maximum 135.76 _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 2 0 0 14850.29 14667.61 142.56 o 3 0 0 151.43 146.89 2.08 o 4 0 0 4.49 5.67 0.29 o 5 0 0 14.14 13.52 0.23 o 6 0 0 91.79 83.57 0.73 o 7 0 0 15.76 15.21 0.31 o 8 0 0 19.57 17.05 0.39 o 9 0 0 34.15 32.02 0.54 o -9 1 0 3.70 4.69 0.69 o -8 1 0 5.12 4.77 0.29 o -7 1 0 3.13 2.75 0.20 o -6 1 0 119.38 121.58 1.01 o -5 1 0 403.03 410.18 3.72 o -4 1 0 225.39 160.03 45.63 o -3 1 0 572.71 583.51 3.80 o -2 1 0 1048.75 1039.33 6.72 o -1 1 0 65.47 61.36 0.34 o 1 1 0 255.39 260.65 1.35 o 2 1 0 8722.22 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