#------------------------------------------------------------------------------ #$Date: 2017-09-06 08:46:29 +0300 (Wed, 06 Sep 2017) $ #$Revision: 200203 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242301.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_2242301 _cell_angle_alpha 88.777 _cell_angle_beta 81.057 _cell_angle_gamma 64.928 _cell_length_a 9.4065 _cell_length_b 9.5271 _cell_length_c 16.6464 _exptl_crystal_F_000 744.00 _reflns_d_resolution_high 0.7856 _cod_data_source_file su5386IIsup5.hkl _cod_data_source_block II _shelx_title ' Rosin8ap-1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 301.30 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 0 130.35 60.93 5.01 o 2 0 0 4087.91 4327.93 52.23 o 3 0 0 5072.12 4948.34 54.27 o 4 0 0 1359.76 1248.25 23.53 o 5 0 0 101.35 82.84 4.92 o 6 0 0 5545.04 5650.89 81.32 o 7 0 0 6281.31 6233.43 105.06 o 8 0 0 795.94 792.13 18.12 o 9 0 0 454.90 444.54 12.28 o 10 0 0 34.23 40.57 6.67 o -10 1 0 702.00 680.35 24.07 o -9 1 0 17.03 69.98 8.41 o -8 1 0 3815.83 3771.20 52.97 o -7 1 0 7742.90 7752.29 114.17 o -6 1 0 516.31 956.56 14.48 o -5 1 0 1009.05 1083.70 13.63 o -4 1 0 13909.03 14091.78 149.70 o -3 1 0 188.25 122.86 3.47 o -2 1 0 815.51 1040.53 14.86 o -1 1 0 25474.99 24798.12 211.45 o 0 1 0 1017.74 741.26 21.12 o 1 1 0 1115.91 980.52 34.60 o 2 1 0 452.17 470.68 7.88 o 7 1 0 3467.02 3383.84 52.69 o 8 1 0 1286.09 1272.20 38.22 o 9 1 0 275.34 245.55 12.40 o 10 1 0 250.32 282.15 14.47 o 11 1 0 150.83 184.79 13.18 o -9 2 0 587.56 566.93 17.86 o -8 2 0 2311.58 2300.33 55.43 o -7 2 0 71.09 77.80 5.49 o -6 2 0 6883.29 6916.38 76.49 o -5 2 0 815.34 744.63 10.75 o -4 2 0 13137.97 12908.68 113.93 o -3 2 0 256.27 234.54 4.81 o -2 2 0 332.17 247.95 4.05 o -1 2 0 14484.97 15299.19 110.64 o 0 2 0 539.08 562.42 5.35 o 1 2 0 9217.52 9797.04 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