#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/03/2200359.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_2200359_Fobs loop_ _publ_author_name 'Zerzouf, A.' 'Salem, M.' 'Essassi, E. M.' 'Pierrot, M.' _publ_section_title ; Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o498 _journal_page_last o499 _journal_volume 57 _journal_year 2001 _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 wn6016Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 4 355.3 380.4 9.1 0 0 6 190.0 177.3 5.3 0 0 10 41.2 39.4 2.6 0 1 3 245.7 257.4 5.7 0 1 4 9.8 9.5 0.6 0 1 5 24.6 17.4 0.7 0 1 6 218.4 216.1 4.0 0 1 7 46.0 41.5 1.2 0 1 8 161.3 154.6 3.3 0 1 9 52.3 46.0 1.5 0 1 10 101.4 121.1 2.3 0 2 0 130.1 138.6 3.4 0 2 3 205.8 261.0 3.8 0 2 4 492.0 464.4 9.3 0 2 5 879.9 940.0 15.5 0 2 6 39.4 44.0 1.3 0 2 7 290.3 289.4 5.7 0 2 8 20.6 21.8 0.7 0 2 9 9.4 3.6 1.8 0 2 10 9.0 10.0 1.1 0 3 1 232.1 262.8 4.7 0 3 2 437.3 440.5 11.1 0 3 3 1563.2 1522.9 38.0 0 3 4 990.2 866.9 22.3 0 3 5 280.7 269.4 5.0 0 3 6 13.2 10.0 0.6 0 3 7 103.2 86.2 2.4 0 3 8 1.8 1.2 0.6 0 3 9 5.1 4.2 0.7 0 4 0 996.0 1005.0 29.3 0 4 1 1149.6 1187.9 29.1 0 4 2 1178.5 1060.6 29.9 0 4 3 511.1 492.8 13.5 0 4 4 255.6 258.8 6.1 0 4 5 292.9 255.9 5.4 0 4 6 220.5 208.2 4.1 0 4 7 172.1 160.6 3.9 0 4 9 128.0 116.8 3.2 0 4 10 24.3 26.6 1.3 0 5 1 1053.8 985.8 20.7 0 5 3 577.6 530.6 15.1 0 5 4 56.2 47.0 2.4 0 5 6 275.4 272.6 6.8 0 5 7 37.6 36.3 1.6 0 5 8 0.8 0.2 0.2 0 5 9 41.2 49.1 1.8 0 6 1 142.3 121.1 2.6 0 6 3 148.0 137.8 4.0 0 6 4 386.2 402.9 9.3 0 6 5 459.3 429.1 11.1 0 6 6 8.8 11.5 2.3 0 6 7 16.7 14.7 1.5 0 6 8 35.4 33.8 2.1 0 7 1 577.8 574.6 10.7 0 7 2 1.8 0.1 0.4 0 7 3 616.0 561.5 14.0 0 7 4 37.3 45.7 2.0 0 7 5 338.0 363.3 8.7 0 7 6 10.9 17.0 2.2 0 7 7 226.1 223.5 6.8 0 8 1 99.9 95.2 2.0 0 8 2 321.4 327.2 6.1 0 8 3 38.2 32.6 4.6 0 8 4 134.3 113.3 4.5 0 8 5 217.0 209.9 6.0 0 8 6 79.0 74.6 3.5 0 8 7 11.4 10.9 2.0 0 9 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2.4 20 1 -20 31.8 28.9 1.4 20 1 -18 249.4 254.0 5.1 20 1 -17 4.8 8.2 0.9 20 1 -16 123.7 111.2 3.5 20 1 -15 48.1 57.0 1.7 20 2 -23 15.0 18.5 1.3 20 2 -21 134.8 143.5 3.1 20 2 -20 21.2 17.2 2.0 20 2 -19 2.7 3.4 0.9 20 2 -18 28.4 31.3 1.3 20 2 -17 90.1 83.9 2.3 20 2 -16 6.9 6.8 1.2 20 2 -15 12.3 12.5 1.4 20 3 -23 108.3 99.6 2.6 20 3 -20 69.1 72.9 1.9 20 3 -19 20.4 28.6 1.1 20 3 -18 15.4 20.9 1.3 20 3 -17 21.9 23.2 1.4 20 3 -16 36.6 40.6 1.7 20 3 -15 10.7 7.0 2.0 20 4 -24 6.1 0.0 1.8 20 4 -23 21.4 25.9 1.1 20 4 -22 30.0 28.3 1.3 20 4 -21 117.8 124.7 2.8 20 4 -19 37.5 45.9 1.5 20 4 -18 184.1 186.9 4.3 20 4 -17 18.0 15.7 1.8 20 5 -23 16.6 13.2 1.3 20 5 -22 15.1 15.7 1.4 20 5 -21 6.4 6.3 1.2 20 5 -20 202.4 217.3 4.3 20 5 -18 64.1 68.4 2.3 20 5 -17 4.4 10.2 1.2 20 6 -22 6.9 6.9 0.9 20 6 -21 15.2 14.5 1.4 20 6 -20 39.7 44.5 1.7 20 6 -18 15.9 13.1 1.1 21 0 -26 37.1 51.7 2.9 21 0 -24 11.2 14.7 1.1 21 0 -22 103.8 107.5 3.8 21 0 -20 210.3 212.9 6.4 21 0 -18 39.7 39.6 3.4 21 1 -26 9.2 12.5 1.4 21 1 -24 15.8 12.3 1.3 21 1 -23 8.1 7.5 0.8 21 1 -22 50.7 51.4 1.6 21 1 -19 37.9 33.1 1.8 21 1 -18 80.0 88.7 2.2 21 1 -17 33.3 36.4 1.3 21 2 -22 8.6 9.8 0.9 21 2 -21 7.3 3.1 1.2 21 2 -20 12.0 13.0 1.4 21 2 -19 108.2 113.3 2.9 21 2 -18 13.4 13.9 1.1 21 2 -17 118.5 117.9 3.3 21 3 -25 6.8 10.3 1.1 21 3 -24 3.7 5.4 1.2 21 3 -23 12.0 9.4 1.2 21 3 -21 72.9 80.6 2.5 21 3 -20 20.9 20.7 1.5 21 3 -19 130.5 119.9 3.3 21 3 -18 5.7 8.0 1.1 21 4 -24 20.0 31.4 1.5 21 4 -23 12.9 9.2 1.5 21 4 -22 156.6 183.5 3.7 21 4 -21 79.5 79.5 3.5 21 4 -19 21.1 27.1 1.6 21 4 -18 23.0 25.9 1.5 21 5 -22 99.2 112.8 2.8 21 5 -20 5.8 9.5 0.9 21 5 -19 37.1 39.5 1.9 22 0 -26 13.6 0.6 3.9 22 0 -24 19.4 15.7 2.4 22 0 -22 11.1 11.8 1.3 22 0 -20 219.1 221.3 6.7 22 1 -25 7.8 9.0 1.3 22 1 -22 97.7 103.5 2.6 22 1 -21 14.2 13.6 1.1 22 1 -19 47.8 58.4 1.6 22 2 -25 51.2 57.2 2.0 22 2 -24 18.0 24.6 1.4 22 2 -21 26.7 28.1 1.4 22 2 -19 3.3 0.1 1.0 22 3 -25 11.9 6.4 3.9 22 3 -24 35.7 43.7 1.9 22 3 -23 31.0 34.7 1.9 22 3 -22 3.8 3.8 0.9 22 3 -21 14.8 27.7 1.2 22 3 -20 5.6 5.5 1.5 22 3 -19 123.3 121.2 7.8 22 4 -24 34.6 28.8 2.8 22 4 -22 55.1 70.3 1.8 22 4 -21 68.1 68.4 2.7 23 1 -24 3.8 0.0 1.1 23 1 -22 67.3 69.0 2.8 23 2 -25 63.0 73.5 3.7 23 2 -24 41.4 50.0 3.5 23 2 -23 76.8 104.5 3.7 23 2 -22 8.4 6.6 1.5 23 3 -23 17.0 15.8 2.5