#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/52/2215235.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_2215235_Fobs loop_ _publ_author_name 'Yang, De-Suo' _publ_section_title ; 2,4-Dibromo-6-(cyclopropyliminomethyl)phenol ; _journal_coeditor_code OM2147 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3737 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.850 _cell_angle_beta 68.620 _cell_angle_gamma 69.690 _cell_length_a 9.1840 _cell_length_b 11.4950 _cell_length_c 12.2650 _exptl_crystal_F_000 616.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file om2147Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 288.20 _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 3258.47 3123.24 130.30 o 2 0 0 13194.95 12213.75 352.46 o 3 0 0 3029.12 2728.15 81.79 o 4 0 0 7.37 27.09 10.88 o 5 0 0 7579.01 6733.85 198.84 o 6 0 0 1732.13 1482.90 154.96 o 7 0 0 16.48 -2.94 32.48 o 8 0 0 15.48 -52.50 35.00 o 9 0 0 252.42 258.96 49.33 o 10 0 0 3.20 -36.44 50.71 o -10 1 0 277.35 268.22 85.20 o -9 1 0 1069.16 952.51 91.06 o -8 1 0 860.61 792.90 143.66 o -7 1 0 165.11 150.96 33.51 o -6 1 0 1453.71 1376.83 70.03 o -5 1 0 124.14 144.78 15.30 o -4 1 0 9085.51 9022.11 263.51 o -3 1 0 19229.12 18955.53 548.56 o -2 1 0 1436.33 1436.85 44.10 o -1 1 0 6052.44 6360.30 218.27 o 0 1 0 913.42 925.27 32.56 o 1 1 0 2142.66 2276.58 113.96 o 2 1 0 2513.93 2420.97 84.68 o 3 1 0 395.49 366.27 32.63 o 4 1 0 297.07 284.09 26.85 o 5 1 0 2487.67 2303.56 73.70 o 6 1 0 3364.58 3359.27 152.69 o 7 1 0 1.78 9.77 28.51 o 8 1 0 114.63 135.95 38.05 o 9 1 0 2.96 11.01 41.63 o 10 1 0 39.62 26.93 52.01 o -10 2 0 99.96 -6.71 65.11 o -9 2 0 129.43 68.60 111.62 o -8 2 0 3.52 -50.77 35.01 o -7 2 0 715.16 694.70 52.39 o -6 2 0 670.54 626.27 44.10 o -5 2 0 995.35 901.05 50.16 o -4 2 0 794.05 866.66 81.91 o -3 2 0 7915.12 7888.82 229.80 o -2 2 0 1446.13 1484.29 45.97 o -1 2 0 1062.87 1093.13 33.71 o 0 2 0 3834.22 3902.77 133.71 o 1 2 0 2979.98 3028.30 150.70 o 2 2 0 83057.78 77552.50 2221.73 o 3 2 0 24577.42 25009.66 718.43 o 4 2 0 3662.87 3703.14 111.92 o 5 2 0 2790.06 2817.88 88.74 o 6 2 0 196.59 222.26 19.71 o 7 2 0 1395.86 1312.08 99.23 o 8 2 0 725.59 795.17 58.26 o 9 2 0 6.27 12.52 40.49 o 10 2 0 7.20 -54.13 48.52 o -9 3 0 1.56 -55.39 44.88 o -8 3 0 142.57 125.06 40.75 o -7 3 0 1688.57 1640.69 142.84 o -6 3 0 4937.18 4720.77 219.01 o -5 3 0 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