#------------------------------------------------------------------------------ #$Date: 2010-10-08 09:13:40 +0300 (Fri, 08 Oct 2010) $ #$Revision: 1452 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2226364.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_2226364_Fobs loop_ _publ_author_name 'Yapo, Yapi Marcellin' 'Konan, Kouakou Michel' 'Adjou, An\'e' 'Timotou, Ad\'eyol\'e' 'Tenon, Jules A.' _publ_section_title ; Ethyl 5-cyano-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxylate ; _journal_coeditor_code BQ2218 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1735 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _audit_creation_date 09-12-18 _audit_creation_method CRYSTALS _cell_angle_alpha 88.246(4) _cell_angle_beta 75.089(2) _cell_angle_gamma 83.289(3) _cell_length_a 8.8257(4) _cell_length_b 9.2256(5) _cell_length_c 10.5011(6) 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2714.51 63.50 o -1 -4 3 6646.00 6315.67 135.50 o 0 -4 3 6267.60 5838.52 130.50 o 1 -4 3 39206.50 37272.15 656.30 o 2 -4 3 403.60 314.30 15.90 o 3 -4 3 1382.60 1179.63 37.70 o 4 -4 3 8875.70 8767.12 205.50 o 5 -4 3 3315.60 3245.49 81.80 o 6 -4 3 5170.90 5018.68 122.80 o 7 -4 3 1837.50 1920.43 60.20 o 8 -4 3 107.30 128.07 23.20 o 9 -4 3 38.40 14.46 23.00 < 10 -4 3 607.90 710.36 76.50 o -10 -3 3 -105.80 2.50 64.10 < -9 -3 3 128.30 63.43 34.90 o -8 -3 3 112.70 195.12 24.80 o -7 -3 3 108.90 78.38 30.30 o -6 -3 3 1038.00 948.98 47.60 o -5 -3 3 700.90 653.98 36.10 o -4 -3 3 837.40 805.92 90.10 o -3 -3 3 1325.70 1367.59 39.60 o -2 -3 3 3295.00 3296.96 86.30 o -1 -3 3 26.70 0.89 7.30 o 0 -3 3 81197.80 83595.38 2648.50 o 1 -3 3 280.00 346.08 10.10 o 2 -3 3 29723.20 29038.81 599.70 o 3 -3 3 4047.10 3887.99 105.30 o 4 -3 3 3444.50 3331.46 93.30 o 5 -3 3 7726.90 7335.60 166.50 o 6 -3 3 1204.00 1306.22 43.30 o 7 -3 3 655.60 646.41 28.80 o 8 -3 3 1049.30 1095.49 48.00 o 9 -3 3 1235.00 1121.06 46.60 o 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603.16 77.20 o -9 1 3 62.90 92.60 57.30 < -8 1 3 17.30 14.20 39.50 < -7 1 3 914.80 801.55 42.60 o -6 1 3 1354.70 1301.47 61.00 o -5 1 3 484.90 405.26 26.10 o -4 1 3 35.30 30.75 9.80 o -3 1 3 3512.30 3790.64 94.20 o -2 1 3 2324.10 2332.40 76.70 o -1 1 3 5889.70 6209.35 220.40 o 0 1 3 25641.60 27608.32 790.60 o 1 1 3 12812.90 14015.84 324.10 o 2 1 3 3647.30 4032.27 89.30 o 3 1 3 27653.30 28389.43 792.20 o 4 1 3 1445.80 1390.12 58.60 o 5 1 3 10508.80 11010.93 396.20 o 6 1 3 381.50 406.47 43.40 o 7 1 3 252.70 197.74 30.20 o 8 1 3 48.80 164.92 24.50 < 9 1 3 493.90 529.66 46.60 o 10 1 3 14.20 153.78 24.50 < 11 1 3 117.00 72.56 59.20 < 12 1 3 159.80 205.78 82.40 < -10 2 3 -33.10 27.34 52.70 < -9 2 3 369.30 397.16 55.60 o -8 2 3 36.90 12.16 37.00 < -7 2 3 243.10 263.28 33.70 o -6 2 3 1295.40 1388.59 64.90 o -5 2 3 -1.90 5.68 12.10 < -4 2 3 2699.40 2462.03 73.80 o -3 2 3 -7.80 0.10 6.30 < -2 2 3 9432.10 9021.93 253.00 o -1 2 3 2100.20 2022.13 58.30 o 0 2 3 7942.30 7961.06 202.30 o 1 2 3 136.60 118.09 7.60 o 2 2 3 104.10 64.42 9.10 o 3 2 3 85.60 84.11 9.60 o 4 2 3 11499.70 11178.30 358.80 o 5 2 3 193.90 290.91 20.40 o 6 2 3 2979.30 3156.99 123.30 o 7 2 3 536.40 602.39 36.90 o 8 2 3 76.20 60.39 28.70 < 9 2 3 120.50 126.72 40.90 < 10 2 3 130.20 24.38 101.30 < 11 2 3 116.20 78.79 62.40 < 12 2 3 -51.80 18.85 72.20 < -10 3 3 360.70 292.78 71.10 o -9 3 3 54.20 116.87 41.90 < -8 3 3 72.30 104.18 32.90 < -7 3 3 47.70 105.67 28.60 < -6 3 3 2304.90 2211.92 99.80 o -5 3 3 830.30 882.88 32.80 o -4 3 3 3648.50 3681.27 94.00 o -3 3 3 2450.90 2443.50 66.50 o -2 3 3 62.90 72.35 7.20 o -1 3 3 10393.10 10089.41 303.40 o 0 3 3 30597.30 32190.87 891.10 o 1 3 3 9681.40 9145.32 219.30 o 2 3 3 1013.70 909.58 23.20 o 3 3 3 2333.20 2156.61 65.80 o 4 3 3 2042.60 2343.20 64.30 o 5 3 3 960.10 1078.40 45.20 o 6 3 3 328.10 264.09 26.70 o 7 3 3 4864.10 4987.95 156.50 o 8 3 3 21.10 0.72 24.10 < 9 3 3 133.70 121.47 33.10 o 10 3 3 108.50 118.18 46.70 < 11 3 3 120.10 35.60 64.80 < -9 4 3 23.20 69.24 32.90 < -8 4 3 29.80 13.35 31.50 < -7 4 3 45.80 48.53 29.60 < -6 4 3 344.60 364.98 29.20 o -5 4 3 262.80 251.88 23.10 o -4 4 3 12.40 8.56 10.00 < -3 4 3 5769.90 5358.18 121.70 o -2 4 3 240.50 227.23 10.70 o -1 4 3 9602.60 9023.94 215.40 o 0 4 3 5841.20 5481.67 118.80 o 1 4 3 23089.50 21941.11 454.20 o 2 4 3 40517.50 37662.91 759.80 o 3 4 3 567.20 678.74 19.10 o 4 4 3 7286.60 6948.88 237.40 o 5 4 3 16611.70 15951.82 360.60 o 6 4 3 10145.20 9813.03 278.90 o 7 4 3 1757.60 1689.97 78.60 o 8 4 3 19.20 62.07 30.70 < 9 4 3 108.20 294.09 33.90 o 10 4 3 66.70 14.23 45.50 < 11 4 3 784.00 643.27 88.60 o -8 5 3 6.20 37.75 36.30 < -7 5 3 28.80 40.02 23.30 < -6 5 3 1023.70 1046.57 45.20 o -5 5 3 2847.30 2778.03 82.60 o -4 5 3 10.50 24.99 11.00 < -3 5 3 1258.90 1335.15 31.00 o -2 5 3 1711.80 1606.05 37.60 o -1 5 3 227.90 146.66 8.90 o 0 5 3 3431.30 3091.24 75.70 o 1 5 3 20405.40 19183.64 402.10 o 2 5 3 541.60 435.10 17.70 o 3 5 3 1385.20 1234.10 33.10 o 4 5 3 990.70 902.88 28.70 o 5 5 3 1129.70 1001.70 39.10 o 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