#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2009015.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_2009015_Fobs loop_ _publ_author_name 'Burgess, J.' 'Fawcett, J.' 'Russell, D. R.' 'Gilani, S. R.' 'Palma, V.' _publ_section_title ; Four N-(2-hydroxybenzylidene)aniline derivatives ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1707 _journal_page_last 1710 _journal_volume 55 _journal_year 1999 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _exptl_crystal_F_000 448.00 _[local]_cod_data_source_file fg15471sup2.hkl _[local]_cod_data_source_block 1 #BEGIN Tags that were not found in dictionaries: _shelx_title ' 4' _shelx_refln_list_code 4 _shelx_f_calc_maximum 196.11 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 4188.65 4024.83 116.70 o 3 0 0 25.87 17.44 1.06 o 4 0 0 353.49 380.58 9.98 o 5 0 0 5.66 3.53 0.96 o 6 0 0 1898.69 2019.52 28.16 o 7 0 0 44.29 44.47 2.27 o 8 0 0 1.69 5.99 1.38 o 9 0 0 1.41 -0.73 1.58 o 10 0 0 185.13 200.44 10.35 o 11 0 0 19.52 23.38 2.11 o 12 0 0 172.38 175.41 7.62 o 13 0 0 1.36 0.34 1.90 o 1 1 0 175.83 162.37 2.53 o 2 1 0 409.88 371.87 5.88 o 3 1 0 71.98 58.50 3.32 o 4 1 0 42.69 40.37 1.52 o 5 1 0 216.28 231.03 6.49 o 6 1 0 1710.74 1859.86 19.43 o 7 1 0 5.10 5.17 1.07 o 8 1 0 166.85 164.64 5.34 o 9 1 0 274.09 261.13 8.45 o 10 1 0 543.96 545.61 15.24 o 11 1 0 132.48 119.69 4.09 o 12 1 0 103.40 92.31 2.98 o 13 1 0 3.77 2.89 1.54 o 0 2 0 4.66 5.88 0.83 o 1 2 0 38.48 31.69 1.10 o 2 2 0 5223.08 5215.22 38.01 o 3 2 0 138.19 157.98 7.43 o 4 2 0 525.72 597.97 14.76 o 5 2 0 6.05 4.92 1.20 o 6 2 0 209.83 228.48 11.21 o 7 2 0 0.01 -1.40 1.35 o 8 2 0 192.46 181.49 9.50 o 9 2 0 51.90 49.01 3.19 o 10 2 0 505.76 529.29 22.15 o 11 2 0 4.90 8.79 2.04 o 12 2 0 20.86 22.32 2.50 o 13 2 0 9.17 7.01 2.23 o 1 3 0 3.15 4.69 1.11 o 2 3 0 233.27 237.93 10.27 o 3 3 0 0.49 -0.53 1.17 o 4 3 0 406.91 405.89 14.54 o 5 3 0 10.37 10.93 1.45 o 6 3 0 15.77 14.31 1.72 o 7 3 0 177.19 177.18 10.50 o 8 3 0 453.45 455.24 19.29 o 9 3 0 20.32 19.20 2.39 o 10 3 0 8.01 8.02 2.00 o 11 3 0 3.41 3.65 2.02 o 12 3 0 3.26 5.17 2.13 o 0 4 0 0.69 3.40 1.35 o 1 4 0 137.82 144.34 4.77 o 2 4 0 14.71 12.31 1.49 o 3 4 0 58.94 58.45 2.64 o 4 4 0 23.89 23.90 1.91 o 5 4 0 0.61 0.35 1.63 o 6 4 0 25.74 23.03 2.14 o 7 4 0 8.48 9.53 2.05 o 8 4 0 7.88 4.96 2.21 o 9 4 0 16.29 16.19 2.36 o 10 4 0 3.50 -1.01 2.21 o 11 4 0 2.18 7.16 2.02 o 1 5 0 30.13 30.91 1.70 o 2 5 0 422.69 422.54 18.99 o 3 5 0 47.87 52.78 2.80 o 4 5 0 0.80 0.96 1.59 o 5 5 0 7.28 8.72 1.81 o 6 5 0 0.04 -1.97 1.91 o 7 5 0 2.70 3.47 2.04 o 8 5 0 50.59 41.16 3.12 o 9 5 0 0.99 2.83 2.04 o 0 6 0 31.37 33.89 2.71 o 1 6 0 3.71 2.59 1.52 o 2 6 0 59.60 55.40 3.28 o 3 6 0 43.70 46.31 2.92 o 4 6 0 8.81 12.19 2.29 o 5 6 0 2.48 3.29 2.11 o -14 1 1 4.86 4.90 1.64 o -13 1 1 1.59 1.48 1.41 o -12 1 1 11.76 10.34 1.63 o -11 1 1 1.58 2.71 1.33 o -10 1 1 351.47 349.37 11.98 o -9 1 1 2.88 1.48 1.11 o -8 1 1 78.63 84.48 2.46 o -7 1 1 213.17 227.97 7.21 o -6 1 1 29.74 42.28 1.28 o -5 1 1 735.21 731.61 11.09 o -4 1 1 432.18 403.12 19.12 o -3 1 1 2143.06 2065.74 44.31 o -2 1 1 1340.44 1259.19 10.46 o -1 1 1 6675.93 6211.98 168.56 o 0 1 1 3769.99 3584.59 38.57 o 1 1 1 601.67 568.08 6.87 o 2 1 1 31.24 25.96 1.76 o 3 1 1 5.57 6.61 0.63 o 4 1 1 10.26 10.84 0.71 o 5 1 1 1391.93 1460.61 16.45 o 6 1 1 765.05 829.06 29.11 o 7 1 1 348.63 374.76 17.86 o 8 1 1 83.16 86.67 3.30 o 9 1 1 703.09 671.90 15.71 o 10 1 1 37.96 40.52 1.99 o 11 1 1 123.59 118.54 4.03 o 12 1 1 0.96 -0.95 1.36 o 13 1 1 2.11 -0.99 2.46 o -13 2 1 9.61 8.34 2.25 o -12 2 1 0.22 -1.98 2.05 o -11 2 1 93.05 88.80 4.55 o -10 2 1 208.93 206.82 9.24 o -9 2 1 7.89 3.67 1.86 o -8 2 1 105.70 103.06 5.65 o -7 2 1 0.53 1.05 1.35 o -6 2 1 145.98 158.98 8.35 o -5 2 1 163.42 178.90 8.92 o -4 2 1 1063.37 1146.79 19.97 o -3 2 1 19.04 16.30 1.13 o -2 2 1 201.41 177.44 7.63 o -1 2 1 397.62 364.56 7.10 o 0 2 1 261.82 251.94 5.88 o 1 2 1 1777.49 1800.66 15.32 o 2 2 1 830.56 821.95 15.58 o 3 2 1 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44.21 1.89 o 11 1 3 21.33 20.22 1.70 o 12 1 3 4.15 5.81 1.80 o -13 2 3 63.19 57.09 3.53 o -12 2 3 12.29 15.18 2.25 o -11 2 3 134.53 157.54 7.16 o -10 2 3 3.20 5.33 1.79 o -9 2 3 21.36 20.02 2.04 o -8 2 3 73.08 81.25 4.18 o -7 2 3 1033.98 1019.09 23.21 o -6 2 3 348.11 329.72 12.94 o -5 2 3 516.76 574.95 15.27 o -4 2 3 3.10 3.91 1.08 o -3 2 3 121.56 111.78 6.15 o -2 2 3 8.45 6.68 1.01 o -1 2 3 241.93 248.99 6.38 o 0 2 3 130.92 129.83 6.19 o 1 2 3 29.92 28.69 1.00 o 2 2 3 21.92 24.52 1.74 o 3 2 3 18.43 19.01 1.31 o 4 2 3 169.92 191.38 8.83 o 5 2 3 89.72 90.33 4.06 o 6 2 3 0.46 0.87 1.31 o 7 2 3 79.38 73.33 4.11 o 8 2 3 392.54 424.92 18.03 o 9 2 3 108.10 111.27 6.06 o 10 2 3 62.65 58.04 2.99 o 11 2 3 0.00 2.13 1.90 o 12 2 3 6.83 12.21 2.18 o -12 3 3 5.75 6.87 2.09 o -11 3 3 7.10 5.88 2.02 o -10 3 3 1.53 3.08 1.77 o -9 3 3 0.02 0.58 1.88 o -8 3 3 0.15 -0.28 1.70 o -7 3 3 8.92 8.50 1.74 o -6 3 3 11.48 14.53 1.56 o -5 3 3 0.17 0.67 1.29 o -4 3 3 63.19 67.09 3.81 o -3 3 3 1007.53 1037.19 21.32 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