#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:44:07 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181088 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/68/2216824.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_2216824_Fobs loop_ _publ_author_name 'Bibila Mayaya Bisseyou, Yvon' 'Soro, Adama P.' 'Sissouma, Drissa' 'Giorgi, Michel' 'Ebby, N'd\'ed\'e' _publ_section_title ; 3-(3-Chlorophenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one ; _journal_coeditor_code WN2207 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4758 _journal_page_last o4759 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _audit_creation_date 07-09-26 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 93.425(4) _cell_angle_gamma 90 _cell_length_a 4.784(2) _cell_length_b 21.690(2) _cell_length_c 13.773(9) _cod_data_source_file wn2207Isup2.hkl _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 _refln_observed_status 1 1 0 6266.31 6612.89 156.74 o 1 2 0 1887.90 2094.45 48.66 o 2 2 0 7152.08 8057.37 167.45 o 2 3 0 912.04 937.63 19.33 o 3 3 0 105.27 109.40 8.41 o 2 4 0 9194.89 8946.68 187.94 o 3 4 0 5872.16 5751.40 125.67 o 2 5 0 523.49 526.76 17.85 o 3 5 0 231.95 247.83 8.53 o 2 6 0 28577.90 29585.56 652.53 o 3 6 0 673.40 642.52 17.65 o 4 6 0 1792.68 1727.04 66.90 o 1 7 0 10096.23 9787.30 546.61 o 2 7 0 7803.96 8436.44 201.42 o 3 7 0 1811.35 1657.76 40.01 o 4 7 0 126.56 164.20 7.43 o 0 8 0 9221.76 10110.75 391.80 o 1 8 0 1592.81 1408.45 42.30 o 2 8 0 14774.40 13769.62 289.29 o 3 8 0 24.70 0.04 14.11 < 4 8 0 426.84 425.53 16.11 o 1 9 0 213.16 209.62 24.82 o 2 9 0 10939.07 10693.22 202.90 o 3 9 0 726.84 690.79 23.72 o 4 9 0 60.53 75.52 10.11 o 0 10 0 608.61 541.80 29.11 o 1 10 0 6997.32 6771.92 194.07 o 2 10 0 15505.23 15541.75 296.36 o 3 10 0 92.16 110.90 13.25 o 4 10 0 76.21 87.56 12.92 o 5 10 0 26.94 31.09 11.00 o 1 11 0 296.53 226.47 18.94 o 2 11 0 1122.92 1108.03 44.23 o 3 11 0 7226.70 7074.31 137.72 o 4 11 0 93.70 90.82 12.39 o 5 11 0 8.88 2.24 19.91 < 0 12 0 80.46 47.04 22.60 o 1 12 0 1359.40 1425.52 39.08 o 2 12 0 3846.48 3506.19 75.66 o 3 12 0 4148.65 4254.14 90.17 o 4 12 0 36.24 43.95 16.98 o 5 12 0 266.67 211.59 29.07 o 1 13 0 229.52 183.80 17.27 o 2 13 0 148.84 108.70 21.72 o 3 13 0 9759.46 9857.99 193.63 o 4 13 0 178.49 154.88 18.97 o 5 13 0 33.87 22.78 24.09 < 0 14 0 951.11 902.56 40.09 o 1 14 0 8390.56 8200.73 166.71 o 2 14 0 934.52 914.83 31.79 o 3 14 0 847.97 773.66 33.20 o 4 14 0 11.09 0.17 16.12 < 5 14 0 -29.27 6.52 24.78 < 1 15 0 761.21 733.31 27.59 o 2 15 0 57.30 20.09 17.87 o 3 15 0 125.66 138.14 21.97 o 4 15 0 165.38 233.16 21.86 o 0 16 0 1248.21 1303.62 59.35 o 1 16 0 244.61 203.45 20.96 o 2 16 0 49.42 42.80 22.64 o 3 16 0 871.43 881.15 40.15 o 4 16 0 1031.69 1043.97 46.25 o 1 17 0 689.59 677.87 31.51 o 2 17 0 70.06 0.10 29.46 o 3 17 0 218.15 234.92 20.09 o 4 17 0 426.42 480.93 26.43 o 0 18 0 62.57 65.54 25.63 o 1 18 0 2271.48 2137.34 56.24 o 2 18 0 2622.46 2677.16 71.69 o 3 18 0 301.72 302.86 26.75 o 4 18 0 828.86 1006.89 39.15 o 1 19 0 2796.29 2785.06 66.63 o 2 19 0 125.89 142.50 25.81 o 3 19 0 -33.76 0.47 21.15 < 4 19 0 82.45 54.99 34.87 o 0 20 0 175.56 195.41 33.39 o 1 20 0 6385.61 5911.02 137.45 o 2 20 0 430.98 481.37 34.88 o 3 20 0 38.94 20.87 32.32 < 1 21 0 205.64 225.04 27.53 o 2 21 0 78.68 80.82 25.37 o 3 21 0 -27.98 1.16 26.34 < 0 22 0 1128.29 1115.08 60.46 o 1 22 0 449.86 372.12 44.54 o 2 22 0 62.41 6.94 32.23 < 3 22 0 212.87 158.10 42.02 o 1 23 0 597.80 686.28 38.14 o 2 23 0 166.15 148.91 36.87 o 3 23 0 68.39 71.12 33.58 o 0 24 0 8003.09 7817.69 354.26 o 1 24 0 -57.30 0.75 31.95 < 2 24 0 73.44 87.36 36.51 o 1 25 0 11.90 9.79 37.88 < 2 25 0 286.96 406.27 32.86 o 0 26 0 17.64 91.46 48.55 < 1 26 0 144.72 114.75 57.74 o -1 1 1 654.85 552.11 15.35 o 0 1 1 0.20 0.00 2.97 < 2 1 1 2992.09 3200.18 70.02 o -2 2 1 127.69 115.59 6.78 o -1 2 1 22377.17 24036.05 568.44 o 0 2 1 16837.66 0.00 539.80 x 2 2 1 13754.60 14194.82 286.16 o -3 3 1 -16.00 9793.53 6.16 < -2 3 1 1275.20 1141.85 41.42 o -1 3 1 846.81 1048.12 19.21 o 0 3 1 31.02 0.00 5.90 x 2 3 1 1419.78 1317.89 42.96 o 3 3 1 46.24 47.67 5.44 o -3 4 1 428.90 429.94 12.84 o -2 4 1 7464.96 7571.60 203.90 o 2 4 1 8.82 6.75 8.43 < 3 4 1 28.84 26.80 5.16 o -3 5 1 382.98 437.22 11.35 o -2 5 1 749.66 792.07 25.74 o 0 5 1 19.10 64.70 6.64 o 2 5 1 499.52 376.97 15.20 o 3 5 1 5548.76 5691.30 110.25 o -4 6 1 585.64 572.15 24.20 o -3 6 1 314.35 281.69 12.06 o -2 6 1 3504.64 2768.45 104.19 o -1 6 1 11272.07 12307.60 227.20 o 0 6 1 4122.92 4262.21 84.76 o 1 6 1 263.09 215.06 15.25 o 2 6 1 10302.25 10360.89 249.69 o 3 6 1 0.20 2.80 6.65 < 4 6 1 219.93 229.40 13.94 o -4 7 1 4209.41 4196.69 96.02 o -3 7 1 2520.04 2428.88 52.21 o -2 7 1 17580.11 17921.73 357.99 o -1 7 1 13354.11 14086.20 369.79 o 0 7 1 713.42 708.65 18.16 o 1 7 1 2157.60 2190.88 65.96 o 3 7 1 879.12 829.73 23.13 o 4 7 1 240.56 223.70 9.62 o -4 8 1 229.83 247.85 13.34 o -3 8 1 431.39 410.42 16.62 o -2 8 1 6052.84 5353.02 119.81 o -1 8 1 536.85 511.86 42.17 o 0 8 1 216.38 232.98 13.53 o 1 8 1 15244.84 16340.36 442.02 o 3 8 1 278.22 247.25 15.35 o 4 8 1 79.39 55.74 8.55 o -4 9 1 166.67 110.03 11.88 o -3 9 1 477.86 472.06 20.55 o -2 9 1 2311.69 2218.76 49.04 o -1 9 1 56444.27 55463.96 1553.77 o 0 9 1 13579.24 13854.84 321.62 o 1 9 1 215.21 215.75 19.95 o 3 9 1 8804.07 8785.82 172.65 o 4 9 1 618.02 627.64 23.37 o -5 10 1 32.26 13.80 12.61 o -4 10 1 95.26 74.01 13.08 o -3 10 1 199.37 209.98 16.94 o -2 10 1 3960.19 3438.15 93.14 o -1 10 1 955.43 942.10 59.35 o 0 10 1 3881.29 3698.48 92.20 o 1 10 1 2297.28 2223.23 69.02 o 3 10 1 4111.37 4062.46 84.64 o 4 10 1 78.32 34.76 14.87 o 5 10 1 208.22 227.57 18.18 o -5 11 1 167.18 183.82 25.60 o -4 11 1 372.10 357.68 18.90 o -3 11 1 4668.99 4452.92 98.40 o -2 11 1 919.30 892.07 29.11 o -1 11 1 216.09 338.45 20.58 o 0 11 1 24077.73 24508.14 437.58 o 1 11 1 7714.11 8135.97 252.95 o 2 11 1 188.79 147.78 18.69 o 3 11 1 2401.98 2353.54 51.95 o 4 11 1 21.16 30.90 13.71 < 5 11 1 -16.16 0.64 14.39 < -5 12 1 63.04 41.11 17.79 o -4 12 1 17.64 1.61 18.23 < -3 12 1 21.53 36.07 14.01 < -2 12 1 484.00 462.59 22.44 o -1 12 1 320.05 315.35 19.68 o 0 12 1 651.27 693.31 26.54 o 1 12 1 598.78 671.13 24.96 o 2 12 1 163.33 210.70 16.61 o 3 12 1 5105.10 5081.77 101.46 o 4 12 1 188.24 162.57 21.68 o 5 12 1 -6.40 15.97 19.38 < -5 13 1 222.01 174.40 35.46 o -4 13 1 152.77 153.52 16.07 o -3 13 1 3717.34 3597.96 82.92 o -2 13 1 1313.34 1397.24 39.86 o -1 13 1 6012.45 5683.87 117.86 o 0 13 1 641.61 623.06 25.33 o 1 13 1 15.68 0.56 13.46 < 2 13 1 511.21 542.31 24.87 o 3 13 1 5835.43 5913.12 120.70 o 4 13 1 165.38 176.69 19.03 o 5 13 1 5.71 19.60 31.12 < -5 14 1 176.62 184.52 34.55 o -4 14 1 40.20 0.79 21.18 < -3 14 1 949.26 893.26 38.20 o -2 14 1 10102.26 9963.63 188.96 o -1 14 1 13.47 0.40 14.75 < 0 14 1 1374.18 1278.73 37.07 o 1 14 1 43.96 3.99 18.70 o 2 14 1 2613.25 2544.59 60.32 o 3 14 1 2272.43 2233.07 77.23 o 4 14 1 290.02 352.39 23.16 o -4 15 1 43.43 13.32 19.90 o -3 15 1 629.01 673.06 33.61 o -2 15 1 258.57 305.15 24.76 o -1 15 1 1409.25 1295.67 36.04 o 0 15 1 4261.48 4023.70 84.86 o 1 15 1 642.12 601.75 24.83 o 2 15 1 15343.78 14938.16 299.77 o 3 15 1 1108.22 1014.78 40.61 o 4 15 1 138.77 152.95 24.50 o -4 16 1 32.38 4.47 23.10 < -3 16 1 921.73 951.91 35.82 o -2 16 1 749.66 751.92 30.67 o -1 16 1 1932.48 1890.83 51.87 o 0 16 1 5162.42 4942.12 109.21 o 1 16 1 2755.20 3035.05 65.09 o 2 16 1 5172.49 5198.77 113.63 o 3 16 1 27.46 16.80 18.76 < 4 16 1 535.00 768.32 31.92 o -4 17 1 1077.15 1116.91 42.01 o -3 17 1 272.58 296.00 24.76 o -2 17 1 653.82 613.99 43.98 o -1 17 1 710.76 586.99 31.99 o 0 17 1 1239.04 1255.86 42.94 o 1 17 1 64.64 7.78 26.05 o 2 17 1 1871.43 1688.96 63.16 o 3 17 1 1882.69 1879.13 59.88 o 4 17 1 1810.50 2015.04 60.42 o -4 18 1 38.19 0.02 28.06 < -3 18 1 -9.80 44.80 23.79 < -2 18 1 558.38 623.47 32.61 o -1 18 1 964.72 918.92 36.65 o 0 18 1 2213.70 2187.04 53.64 o 1 18 1 7.40 2.48 23.88 < 2 18 1 164.61 192.66 23.09 o 3 18 1 148.84 149.03 26.11 o 4 18 1 46.38 60.63 21.79 o -4 19 1 52.85 64.15 34.75 < -3 19 1 144.24 115.32 27.86 o -2 19 1 21.81 14.26 18.77 < 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2 4548.15 4625.03 91.72 o 1 11 2 7020.76 6719.84 169.26 o 2 11 2 3751.56 3841.09 89.43 o 3 11 2 774.51 688.52 26.16 o 4 11 2 326.16 313.64 20.23 o 5 11 2 46.65 82.24 17.62 o -5 12 2 2.69 2.82 26.44 < -4 12 2 539.17 490.71 26.94 o -3 12 2 1330.06 1255.41 36.47 o -2 12 2 1556.30 1557.33 41.82 o -1 12 2 14491.34 13861.13 276.87 o 0 12 2 1365.30 1366.90 35.47 o 1 12 2 8988.94 8448.85 227.54 o 2 12 2 7.62 1.29 12.92 < 3 12 2 14172.90 13964.01 283.34 o 4 12 2 570.25 610.89 21.49 o 5 12 2 110.25 108.08 18.69 o -5 13 2 64.80 8.98 31.72 o -4 13 2 211.99 205.36 19.22 o -3 13 2 396.01 361.84 25.07 o -2 13 2 277.89 282.81 21.34 o -1 13 2 257.60 201.02 22.47 o 0 13 2 871.43 844.82 28.34 o 1 13 2 313.29 329.54 21.59 o 2 13 2 8589.58 8563.52 161.26 o 3 13 2 5346.53 5375.80 112.60 o 4 13 2 219.63 253.76 19.56 o 5 13 2 273.24 234.17 29.09 o -5 14 2 5.02 25.94 24.24 < -4 14 2 68.72 74.47 22.05 o -3 14 2 75.17 114.69 20.63 o -2 14 2 1419.03 1448.37 42.19 o -1 14 2 429.73 380.71 21.56 o 0 14 2 84.64 39.80 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