#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:26:34 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180783 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/14/2011435.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_2011435_Fobs loop_ _publ_author_name 'Aatif, A.' 'Baouid, A.' 'Hasnaoui, A.' 'Pierrot, M.' _publ_section_title ; 1-M\'esityl-6-m\'ethyl-3a,4-propano-3a,4,5,6-t\'etrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiaz\'epin-5-one ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first e459 _journal_page_last e460 _journal_volume 56 _journal_year 2000 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cod_data_source_file qa0297IIIasup2.hkl _cod_data_source_block IIIa 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 1906.6 1986.5 72.9 0 0 6 953.5 880.5 23.3 0 1 3 1145.0 1151.8 23.7 0 1 4 2709.3 2731.2 51.3 0 1 6 1035.1 964.8 18.3 0 1 7 340.9 332.7 7.9 0 1 8 185.7 171.8 9.9 0 1 9 29.4 38.2 3.4 0 2 1 2829.2 2873.8 124.0 0 2 2 1333.8 1332.3 26.4 0 2 3 460.4 474.0 9.8 0 2 4 1040.7 998.2 23.3 0 2 5 13.0 13.0 1.6 0 2 6 67.8 60.8 1.9 0 2 7 77.8 95.5 3.1 0 2 8 94.8 78.4 5.7 0 2 9 20.1 28.4 2.3 0 2 10 28.2 41.6 4.1 0 3 1 508.8 495.9 9.9 0 3 2 30.6 29.2 1.4 0 3 3 208.6 186.7 4.4 0 3 5 49.6 40.1 2.3 0 3 6 302.1 304.6 6.1 0 3 8 86.3 90.6 3.9 0 4 0 5.0 2.2 0.7 0 4 1 75.9 65.2 1.6 0 4 2 170.6 183.6 3.8 0 4 3 449.9 397.1 8.3 0 4 4 203.4 194.7 5.0 0 4 5 456.5 449.2 8.9 0 4 6 4.7 3.1 1.4 0 4 7 74.2 80.1 2.3 0 4 8 10.4 3.8 2.8 0 4 10 14.0 20.7 2.5 0 5 1 23.0 34.7 1.3 0 5 2 140.3 165.0 3.5 0 5 3 63.7 74.9 1.8 0 5 4 602.0 613.2 11.8 0 5 5 16.6 18.1 1.2 0 5 7 51.6 52.0 2.2 0 5 8 8.1 10.7 2.2 0 5 9 48.6 28.1 9.2 0 6 0 1366.1 1343.1 42.2 0 6 1 644.0 646.4 13.4 0 6 2 883.0 970.3 17.2 0 6 3 157.8 140.9 3.6 0 6 4 22.2 27.1 1.8 0 6 5 247.6 234.6 5.6 0 6 6 13.2 15.6 2.0 0 6 7 241.2 246.3 5.8 0 6 9 13.1 11.0 2.9 0 7 1 1697.1 1621.6 36.0 0 7 2 732.0 699.4 14.6 0 7 3 679.9 675.9 14.4 0 7 4 150.7 133.1 3.5 0 7 5 18.0 17.0 1.8 0 7 6 146.9 137.6 4.1 0 7 7 15.0 14.4 3.3 0 7 8 43.9 42.8 3.2 0 7 9 200.0 207.6 7.1 0 8 0 169.0 210.9 4.9 0 8 2 217.0 186.2 5.1 0 8 3 38.3 34.3 2.1 0 8 4 666.8 615.3 12.2 0 8 5 103.8 110.0 3.7 0 8 7 83.3 82.9 3.4 0 8 8 136.7 146.3 4.9 0 8 9 40.7 34.3 5.4 0 9 1 882.0 822.1 18.9 0 9 2 8.4 10.7 1.8 0 9 4 121.9 122.3 3.7 0 9 5 359.8 347.8 8.8 0 9 6 500.6 526.9 12.6 0 9 7 53.5 49.8 3.8 0 9 8 51.3 50.7 3.5 0 9 9 35.2 27.6 3.8 0 10 0 342.6 354.4 8.9 0 10 1 796.1 739.0 15.4 0 10 2 13.0 17.0 1.4 0 10 3 143.4 121.8 4.5 0 10 4 57.5 58.8 2.2 0 10 5 32.1 29.4 2.2 0 10 6 299.8 289.9 7.2 0 10 8 90.2 104.5 5.9 0 10 9 80.0 82.7 7.8 0 11 1 6.4 0.8 1.9 0 11 2 12.8 11.3 2.0 0 11 3 505.6 511.2 10.2 0 11 4 284.8 290.5 6.7 0 11 5 259.0 241.4 6.0 0 11 6 215.9 227.5 5.7 0 11 7 40.3 18.0 6.4 0 11 8 43.0 41.6 4.0 0 12 0 104.2 105.4 4.4 0 12 1 25.0 22.3 2.0 0 12 2 94.6 99.1 2.6 0 12 3 41.5 38.7 1.9 0 12 4 117.9 127.6 4.5 0 12 5 138.9 135.5 4.5 0 12 6 267.6 277.2 6.4 0 12 8 30.5 31.6 3.9 0 13 3 168.8 162.4 4.4 0 13 4 22.9 20.7 2.8 0 13 5 286.3 260.7 9.7 0 13 6 70.8 71.3 3.2 0 13 8 15.4 4.5 3.6 0 14 0 128.9 121.6 5.5 0 14 1 16.2 15.9 2.0 0 14 2 213.8 226.2 5.0 0 14 3 282.4 282.2 7.9 0 14 4 22.8 22.8 2.3 0 14 5 48.9 52.3 3.0 0 15 1 102.0 94.4 3.6 0 15 2 405.0 419.0 9.0 0 15 3 34.5 36.1 2.2 0 15 6 63.3 54.2 5.8 0 16 0 87.3 59.7 4.4 0 16 2 17.1 17.9 3.2 0 16 3 42.5 30.3 3.0 0 16 4 35.5 39.0 4.4 0 16 5 23.3 14.8 3.4 0 17 1 120.8 118.3 4.2 0 17 5 15.7 0.1 4.7 0 17 6 17.3 0.8 5.0 0 18 0 62.7 43.3 5.5 0 18 2 11.8 15.8 2.4 0 18 3 11.6 4.3 3.7 0 19 2 7.4 0.1 2.4 0 19 4 42.7 54.7 4.0 0 20 0 29.5 21.4 6.6 1 0 -10 34.1 27.6 5.2 1 0 -8 84.8 68.3 5.2 1 0 -6 51.4 42.5 3.3 1 0 -4 609.7 598.6 17.9 1 0 0 503.2 517.4 24.9 1 0 2 856.2 887.9 24.3 1 0 4 626.1 520.2 19.2 1 0 6 440.9 427.1 13.2 1 1 -11 24.7 0.0 7.2 1 1 -10 120.2 119.3 5.0 1 1 -9 364.3 356.5 7.9 1 1 -8 9.9 7.2 1.8 1 1 -7 595.1 582.2 12.0 1 1 -6 1188.2 1245.8 23.3 1 1 -5 77.0 68.2 2.2 1 1 -4 1519.2 1567.7 28.8 1 1 -3 1080.8 1214.3 41.5 1 1 0 2141.5 3075.8 170.2 1 1 2 7.2 6.5 0.8 1 1 3 500.8 483.0 10.8 1 1 4 33.4 23.1 1.8 1 1 5 136.3 136.8 3.6 1 1 6 163.6 137.7 4.9 1 1 7 262.6 260.9 6.5 1 1 8 23.9 5.7 6.3 1 1 9 18.1 3.2 4.7 1 2 -11 47.9 53.6 5.9 1 2 -10 57.2 47.0 3.7 1 2 -9 72.8 70.6 3.1 1 2 -8 545.5 551.9 11.6 1 2 -7 72.6 56.7 3.7 1 2 -5 157.3 134.3 3.6 1 2 -4 30.9 20.8 1.3 1 2 -3 116.8 106.7 2.6 1 2 -2 2167.7 2300.8 51.7 1 2 3 477.9 482.3 9.9 1 2 4 88.5 95.5 3.2 1 2 5 229.1 222.3 5.5 1 2 6 34.2 15.0 3.9 1 2 7 65.2 45.5 4.0 1 3 -10 38.9 32.1 3.5 1 3 -9 174.2 187.9 4.9 1 3 -8 347.3 346.2 8.3 1 3 -7 55.0 32.1 4.5 1 3 -6 14.1 14.2 1.3 1 3 -5 277.6 276.6 7.5 1 3 -3 1422.6 1529.7 32.1 1 3 -2 70.2 73.1 1.5 1 3 0 2225.7 2527.8 57.2 1 3 1 3673.2 4014.1 71.2 1 3 2 40.7 37.1 1.6 1 3 3 1629.0 1578.9 33.1 1 3 4 936.3 959.1 17.2 1 3 5 76.6 78.4 2.9 1 3 6 674.7 630.5 21.6 1 3 7 400.5 430.0 9.2 1 3 8 40.6 31.3 6.2 1 4 -10 75.4 62.4 4.3 1 4 -9 26.2 21.8 2.3 1 4 -8 52.2 39.4 4.5 1 4 -7 8.3 1.7 2.1 1 4 -6 9.7 8.0 1.2 1 4 -5 65.1 79.4 2.8 1 4 -4 141.5 144.9 4.3 1 4 -3 24.7 28.9 1.0 1 4 -1 16.8 20.8 0.8 1 4 1 1222.8 1316.7 23.4 1 4 2 1234.3 1184.3 22.6 1 4 3 48.7 49.4 2.9 1 4 4 49.5 45.0 3.1 1 4 5 462.1 449.7 9.1 1 4 6 145.1 107.8 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13.1 2 3 -6 394.5 382.2 7.9 2 3 -5 674.5 661.6 14.3 2 3 -4 1052.9 1102.3 21.4 2 3 -3 110.5 114.5 2.3 2 3 -2 1831.4 1976.0 58.1 2 3 -1 2117.8 2323.2 59.0 2 3 0 285.5 273.1 6.7 2 3 2 130.1 129.7 3.8 2 3 3 62.0 70.4 2.4 2 3 4 106.9 98.6 4.6 2 3 5 145.9 151.0 4.9 2 3 6 12.2 13.8 2.8 2 4 -12 21.4 24.0 4.2 2 4 -11 35.4 49.0 2.8 2 4 -10 56.1 42.8 7.7 2 4 -9 172.4 183.3 4.6 2 4 -8 332.2 339.1 7.4 2 4 -7 325.3 355.5 6.9 2 4 -6 31.9 26.7 1.4 2 4 -5 110.8 111.1 4.9 2 4 -4 2265.0 2242.6 44.9 2 4 -3 2840.6 3015.0 82.1 2 4 -2 630.0 651.0 13.8 2 4 -1 4110.8 4280.9 178.9 2 4 0 1927.8 1933.2 46.9 2 4 1 204.5 183.3 4.1 2 4 2 1461.4 1383.7 32.4 2 4 3 14.9 10.6 1.7 2 4 4 209.7 201.9 5.8 2 4 5 44.3 54.6 2.1 2 4 6 10.7 0.5 2.5 2 4 7 14.5 3.1 4.1 2 5 -12 12.8 10.9 3.5 2 5 -10 25.7 6.3 8.4 2 5 -9 215.2 222.4 8.8 2 5 -6 659.9 637.9 12.9 2 5 -5 1574.5 1581.8 32.5 2 5 -4 14.6 15.2 1.0 2 5 -3 1592.0 1625.4 32.1 2 5 -2 84.9 75.5 2.8 2 5 -1 32.2 49.0 2.0 2 5 1 142.0 142.4 3.4 2 5 2 69.7 53.2 3.3 2 5 3 507.7 459.2 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