#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2007422.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_2007422_Fobs loop_ _publ_author_name 'Sato, M.' 'Matsumoto, K.' 'Kawashima, Y.' 'Tomisawa, K.' _publ_section_title ; Methyl Ester of the Bioactive Metabolite of Thromboxane A2 Receptor Antagonist ON-579 ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 982 _journal_page_last 984 _journal_volume 54 _journal_year 1998 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_data_source_file de1071sup2.hkl _[local]_cod_data_source_block de1071 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 2 19285.3 15050.2 95.7 0 0 4 12757.1 11087.6 63.6 0 0 6 306.7 319.1 5.2 0 0 8 199.0 224.3 4.9 0 0 10 199.0 196.6 3.9 0 1 1 3587.2 3479.9 18.8 0 1 2 1429.4 1286.2 5.9 0 1 3 2569.8 2421.4 9.4 0 1 4 5705.3 4853.6 25.9 0 1 5 8.3 0.4 2.0 0 1 6 45.7 37.3 3.8 0 1 7 58.3 36.3 4.0 0 1 8 112.2 148.4 4.2 0 1 9 258.2 233.9 4.7 0 1 10 25.6 37.4 1.7 0 2 0 2041.6 2312.3 8.1 0 2 1 1560.7 1624.1 8.6 0 2 2 19789.0 17041.3 102.7 0 2 3 9964.2 8784.8 51.2 0 2 4 393.1 290.3 5.3 0 2 5 713.5 603.0 6.8 0 2 6 128.8 131.6 4.3 0 2 7 832.3 728.7 7.6 0 2 8 476.2 430.9 6.3 0 2 9 514.0 455.6 5.8 0 2 10 8.0 2.2 1.6 0 2 11 29.7 31.2 1.3 0 3 1 100.8 116.9 3.0 0 3 2 24872.9 21747.1 121.4 0 3 3 2034.9 1719.7 8.8 0 3 4 2072.2 1778.2 9.6 0 3 5 105.3 53.4 4.2 0 3 6 2723.5 2472.2 12.4 0 3 7 276.1 259.6 5.4 0 3 8 86.9 80.4 4.1 0 3 10 57.8 68.7 3.2 0 4 0 1270.3 1382.0 5.8 0 4 1 45157.9 43528.0 156.4 0 4 2 17687.8 17059.9 63.8 0 4 3 2465.0 2321.0 9.6 0 4 4 1559.6 1570.2 8.7 0 4 5 7990.4 7408.5 33.5 0 4 6 49.4 7.2 3.9 0 4 7 809.0 852.8 7.6 0 4 8 850.0 942.2 7.5 0 4 9 23.8 19.8 1.8 0 4 10 39.9 44.5 2.0 0 4 11 220.9 242.6 3.1 0 5 1 5742.2 5810.8 21.9 0 5 2 3317.0 3262.9 10.5 0 5 3 45.2 61.1 3.9 0 5 4 6012.5 5780.9 27.9 0 5 5 178.9 163.0 4.6 0 5 7 108.6 105.5 4.3 0 5 8 157.0 162.1 4.4 0 5 10 11.5 15.2 1.5 0 6 0 12164.7 12542.5 54.6 0 6 1 2949.9 2929.6 9.9 0 6 2 47.8 27.3 3.7 0 6 3 6597.4 6266.0 27.9 0 6 4 236.9 228.7 4.8 0 6 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37.2 2.0 10 2 -2 95.9 98.9 3.3 10 2 -1 24.2 13.3 1.6 10 2 0 16.0 20.2 1.5 10 2 1 217.2 213.5 3.8 10 2 2 220.6 193.2 3.5 10 2 3 43.0 38.4 1.7 10 3 -7 69.5 58.6 2.3 10 3 -4 13.8 7.2 1.5 10 3 -3 227.0 203.8 4.0 10 3 -1 367.3 345.5 4.5 10 3 0 530.8 474.6 5.2 10 3 1 96.9 89.1 3.0 10 3 2 35.3 14.2 1.5 10 3 3 378.8 371.6 3.7 10 4 -7 29.5 22.3 1.4 10 4 -6 47.6 38.1 2.4 10 4 -5 137.9 115.2 3.1 10 4 -4 64.0 52.5 3.0 10 4 -3 54.3 63.1 2.9 10 4 -2 20.9 27.8 1.7 10 4 -1 213.0 168.0 3.8 10 4 0 127.0 125.7 3.3 10 4 1 37.3 36.5 1.9 10 4 2 187.6 178.1 3.3 10 5 -7 24.1 18.0 1.1 10 5 -6 204.5 189.8 3.1 10 5 -5 18.0 10.0 1.3 10 5 -4 14.2 8.9 1.5 10 5 -3 115.5 96.8 3.3 10 5 -2 35.2 49.6 2.0 10 5 -1 20.0 6.9 1.5 10 5 0 44.3 33.7 2.0 10 5 1 138.8 133.9 3.2 10 5 2 12.3 9.4 1.3 10 5 3 38.5 39.7 1.5 10 5 4 8.9 1.5 1.0 10 6 -7 24.8 18.4 1.1 10 6 -6 11.2 15.5 1.2 10 6 -5 72.0 61.4 2.6 10 6 -3 370.5 341.7 4.3 10 6 -2 149.7 132.8 3.3 10 6 0 167.4 158.7 3.4 10 6 1 136.4 141.1 3.0 10 6 2 193.3 180.7 3.1 10 6 3 31.5 36.2 1.4 10 7 -6 98.5 72.3 2.4 10 7 -5 17.1 13.6 1.3 10 7 -4 76.6 74.8 2.8 10 7 -3 87.0 78.8 2.8 10 7 -2 194.3 188.1 3.5 10 7 -1 18.2 11.6 1.4 10 7 0 36.6 29.6 1.7 10 7 1 91.6 63.2 2.7 10 7 2 31.2 36.2 1.6 10 7 3 22.9 23.6 1.1 10 8 -5 114.7 95.5 2.6 10 8 -4 99.2 83.6 2.7 10 8 -2 10.6 2.6 1.4 10 8 0 46.6 27.1 2.4 10 8 2 75.5 63.9 2.3 10 8 3 8.5 7.6 1.0 10 9 -5 38.9 19.1 1.5 10 9 -4 31.5 30.9 1.6 10 9 -2 108.5 100.6 2.6 10 9 1 258.1 251.3 3.1 10 9 2 13.2 23.9 1.1 10 10 -5 8.9 7.5 1.0 10 10 -4 30.7 29.3 1.5 10 10 -3 9.7 3.1 1.1 10 10 0 47.5 29.5 2.1 10 10 1 34.0 27.3 1.5 10 11 -3 44.5 41.4 1.5 10 11 -1 210.6 212.0 3.0 10 11 0 23.5 23.2 1.2 10 12 -2 28.5 19.4 1.3 10 12 -1 8.3 5.7 1.0 11 0 -6 39.1 36.8 1.4 11 0 -4 21.6 22.1 1.2 11 0 -2 67.5 72.2 2.6 11 0 0 213.3 188.5 3.1 11 0 2 101.3 103.5 2.4 11 1 -6 75.0 81.3 2.1 11 1 -5 11.9 10.0 1.2 11 1 -4 51.1 57.3 2.3 11 1 -3 215.3 194.1 3.2 11 1 -2 61.0 51.7 2.6 11 1 -1 107.6 90.5 2.8 11 1 1 48.9 36.5 2.1 11 1 2 36.0 38.0 1.4 11 2 -6 26.4 14.3 1.3 11 2 -5 55.8 49.4 2.2 11 2 -3 30.8 28.1 1.6 11 2 -2 33.7 34.0 1.7 11 2 -1 107.9 121.2 2.8 11 2 1 8.0 5.4 1.1 11 2 2 60.2 71.4 2.2 11 3 -4 122.7 118.9 2.6 11 3 -3 9.3 4.1 1.2 11 3 -2 56.5 41.0 2.5 11 3 -1 253.1 239.2 3.4 11 3 0 98.1 92.8 2.5 11 3 1 14.2 11.1 1.1 11 3 2 72.7 72.0 2.1 11 4 -5 107.6 105.3 2.4 11 4 -4 41.8 52.0 2.1 11 4 -2 89.4 83.5 2.5 11 4 -1 20.0 14.9 1.2 11 4 0 11.0 10.5 1.2 11 4 1 168.7 150.1 2.7 11 5 -5 63.7 56.3 2.1 11 5 -4 117.8 103.6 2.6 11 5 -3 67.5 58.4 2.2 11 5 -1 47.1 51.1 2.3 11 5 1 41.6 29.2 2.0 11 6 -4 144.6 99.7 2.6 11 6 -3 117.6 107.4 2.6 11 6 -2 142.7 138.1 2.6 11 6 -1 14.0 13.0 1.1 11 6 0 37.7 31.2 1.5 11 7 -4 94.9 90.6 2.2 11 7 -3 14.1 10.9 1.1 11 7 -2 183.6 167.2 2.8 11 7 -1 72.2 54.1 2.3 11 7 0 216.3 187.5 2.7 11 8 -2 140.6 130.0 2.5 11 8 -1 40.0 22.7 2.0