#------------------------------------------------------------------------------ #$Date: 2011-10-06 14:27:20 +0300 (Thu, 06 Oct 2011) $ #$Revision: 27511 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/11/2231182.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_2231182_Fobs loop_ _publ_author_name 'Luo, Yang-Hui' 'Xu, Jian' 'Pan, Mei-Ling' 'Li, Jin-Feng' _publ_section_title ; 2,4-Dibromo-6-[(hydroxyimino)methyl]phenol ; _journal_coeditor_code JH2311 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2099 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.171 _cell_angle_beta 82.248 _cell_angle_gamma 79.028 _cell_length_a 4.2590 _cell_length_b 8.6742 _cell_length_c 12.0831 _exptl_crystal_F_000 280.00 _reflns_d_resolution_high 0.8404 _[local]_cod_data_source_file jh2311Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 110411b in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 184.38 _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 0 512.43 555.28 40.02 o 2 0 0 11.95 1.21 13.17 o 3 0 0 1.72 -13.64 10.56 o 4 0 0 503.77 471.83 44.27 o -3 1 0 32.23 29.49 15.64 o -2 1 0 1321.60 1762.45 114.99 o -1 1 0 6249.40 6448.69 395.56 o 0 1 0 555.29 847.50 31.48 o 1 1 0 25.86 31.10 7.50 o 2 1 0 2227.52 2002.55 132.98 o 3 1 0 825.95 775.30 42.83 o 4 1 0 162.43 139.44 23.71 o -3 2 0 1645.57 2006.77 139.93 o -2 2 0 50.14 85.01 20.15 o -1 2 0 3268.32 3284.88 204.17 o 0 2 0 323.99 486.85 20.29 o 1 2 0 13013.79 11945.41 494.10 o 2 2 0 49.75 37.14 9.60 o 3 2 0 123.78 121.26 27.96 o 5 2 0 40.89 28.58 25.64 o -4 3 0 212.47 201.23 41.64 o -3 3 0 393.89 555.25 60.06 o -2 3 0 38.31 43.44 19.21 o -1 3 0 1078.69 1095.98 73.47 o 0 3 0 4459.71 6323.73 230.77 o 1 3 0 1463.30 1422.00 55.04 o 2 3 0 335.53 305.52 17.91 o 3 3 0 310.20 295.42 26.42 o 4 3 0 149.06 110.45 32.87 o -4 4 0 144.16 167.23 41.88 o -3 4 0 3.17 15.07 29.86 o -2 4 0 577.68 614.14 54.15 o -1 4 0 4.47 14.65 13.20 o 0 4 0 5240.26 6761.03 415.81 o 1 4 0 59.70 54.79 9.31 o 2 4 0 3549.81 3869.04 146.99 o 3 4 0 137.18 134.82 21.43 o 4 4 0 136.70 279.40 44.06 o -3 5 0 359.51 455.76 65.32 o -2 5 0 787.07 862.13 73.71 o -1 5 0 633.54 650.18 53.12 o 0 5 0 243.64 267.31 29.44 o 1 5 0 1336.78 1324.87 53.63 o 2 5 0 1699.17 1750.91 70.79 o 3 5 0 4.49 -0.58 18.18 o 4 5 0 35.29 81.56 35.39 o -3 6 0 322.20 438.41 67.67 o -2 6 0 0.19 -11.61 31.93 o -1 6 0 363.12 345.65 40.99 o 0 6 0 161.32 200.82 27.72 o 1 6 0 3017.44 2710.99 104.59 o 2 6 0 15.26 26.68 12.66 o 3 6 0 232.50 330.10 33.37 o 4 6 0 14.35 21.50 33.97 o -2 7 0 144.01 115.22 45.72 o -1 7 0 1731.88 1657.56 119.23 o 0 7 0 26.81 41.64 23.88 o 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