#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/70/2227072.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_2227072_Fobs loop_ _publ_author_name 'Zhou, Ting' 'Long, Yu-hua' 'Yang, Ding-qiao' 'Zhang, Han-mei' 'Wang, Wen-ling' _publ_section_title ; Ethyl 5,8-dibromo-2-dibromomethyl-6,7-dimethoxyquinoline-3-carboxylate ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2155 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 84.868 _cell_angle_beta 71.948 _cell_angle_gamma 77.552 _cell_length_a 8.9919 _cell_length_b 9.6321 _cell_length_c 11.4544 _exptl_crystal_F_000 564.00 _reflns_d_resolution_high 0.8346 _[local]_cod_data_source_file si2277Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 11 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 234.55 _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 1 0 0 7546.48 5370.88 262.18 o 2 0 0 661.54 678.66 44.16 o 3 0 0 10905.44 10879.76 395.73 o 4 0 0 7082.91 7773.92 288.57 o 5 0 0 7.31 14.70 17.87 o 6 0 0 99.27 117.84 30.73 o 7 0 0 1722.09 1998.31 94.45 o 8 0 0 67.88 106.92 56.90 o 9 0 0 2.82 61.14 63.37 o 10 0 0 138.94 99.16 68.50 o -9 1 0 15.69 20.04 67.74 o -8 1 0 43.26 67.21 58.46 o -7 1 0 593.99 745.34 89.52 o -6 1 0 1044.05 1289.25 108.66 o -5 1 0 0.53 -3.03 32.84 o -4 1 0 2325.97 2532.26 158.24 o -3 1 0 2836.73 2294.27 141.55 o -2 1 0 6.80 22.36 6.64 o -1 1 0 4351.38 4786.03 157.37 o 0 1 0 96.99 158.15 9.33 o 1 1 0 1157.16 1474.09 41.14 o 2 1 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