#------------------------------------------------------------------------------ #$Date: 2019-03-14 05:34:48 +0200 (Thu, 14 Mar 2019) $ #$Revision: 214120 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108376.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_2108376 _cell_angle_alpha 90.000 _cell_angle_beta 99.299 _cell_angle_gamma 90.000 _cell_length_a 21.6021 _cell_length_b 5.6701 _cell_length_c 32.0856 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8001 _cod_data_source_file xk5052l_leu_mal_250sup8.hkl _cod_data_source_block l_leu_mal_250 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 398.96 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -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 -7 0 0.28 5.94 19.18 o 3 -7 0 7.02 29.07 26.47 o 0 -6 0 104.32 114.42 29.45 o 2 -6 0 143.93 106.09 20.18 o 4 -6 0 54.20 54.72 20.33 o 6 -6 0 104.62 91.85 22.35 o 8 -6 0 49.52 33.35 15.84 o 10 -6 0 48.76 60.34 17.97 o 12 -6 0 10.64 25.09 19.87 o 14 -6 0 1.62 7.25 28.09 o 1 -5 0 1005.67 1091.43 65.46 o 3 -5 0 1150.10 1302.26 70.57 o 5 -5 0 129.40 149.84 24.66 o 7 -5 0 1083.78 1293.07 67.72 o 9 -5 0 499.38 628.44 43.39 o 11 -5 0 654.18 796.36 65.22 o 13 -5 0 35.50 45.45 24.66 o 15 -5 0 26.95 19.31 22.05 o 17 -5 0 16.04 13.86 16.29 o 0 -4 0 364.31 307.88 45.92 o 2 -4 0 2901.14 3198.73 98.48 o 4 -4 0 1021.04 1186.70 59.43 o 6 -4 0 653.08 648.82 56.32 o 8 -4 0 79.80 84.69 21.58 o 10 -4 0 177.47 184.56 26.11 o 12 -4 0 297.50 387.71 37.73 o 14 -4 0 232.34 295.45 33.50 o 16 -4 0 132.36 171.46 32.10 o 18 -4 0 64.78 98.24 25.15 o 20 -4 0 53.89 44.09 22.34 o 1 -3 0 1993.84 1926.22 66.72 o 3 -3 0 7862.02 8324.37 204.71 o 5 -3 0 1571.94 1539.66 73.70 o 7 -3 0 2881.22 3010.51 103.17 o 9 -3 0 667.94 731.44 47.90 o 11 -3 0 12.42 26.89 10.82 o 13 -3 0 37.15 40.00 13.50 o 15 -3 0 271.81 312.90 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