#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2207357.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_2207357_Fobs loop_ _publ_author_name 'Pei, Wen' 'Wang, Yong-Jiang' 'Sun, Li' 'Xiong, Xiao-Bo' _publ_section_title ; 4-[4-(Dimethylamino)phenyl]-1-(phenylsulfonyl)but-3-en-2-one ; _journal_coeditor_code TK6266 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3883 _journal_page_last o3884 _journal_volume 61 _journal_year 2005 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_data_source_file tk6266Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 2 0 0 97319.04 13.32 110854.12 o 4 0 0 78472.82 12.18 68052.00 o 6 0 0 4239.31 4.33 5027.28 o 8 0 0 3316.61 6.05 2920.35 o 1 1 0 31159.31 2.86 32740.98 o 2 1 0 80219.23 10.76 88363.90 o 3 1 0 34032.87 4.62 32684.23 o 4 1 0 14810.89 3.35 14836.77 o 5 1 0 59.91 91.20 71.75 o 6 1 0 8747.86 4.41 7593.20 o 7 1 0 -67.40 132.25 38.39 o 8 1 0 1060.15 11.70 715.33 o 9 1 0 90.25 202.21 4.82 o 1 2 0 33033.06 6.10 41938.24 o 2 2 0 39271.35 4.93 41298.21 o 3 2 0 27145.86 4.00 26589.21 o 4 2 0 87184.37 13.25 82766.60 o 5 2 0 6562.62 3.39 6312.70 o 6 2 0 18544.99 5.76 19578.80 o 7 2 0 274.56 42.90 403.16 o 8 2 0 2457.18 9.49 2083.73 o 9 2 0 136.89 71.06 30.14 o 1 3 0 15038.12 2.25 14627.33 o 2 3 0 410.47 8.53 694.50 o 3 3 0 55889.69 7.67 55661.14 o 4 3 0 6595.06 2.92 7994.77 o 5 3 0 -18.23 200.22 59.08 o 6 3 0 521.67 15.29 403.16 o 7 3 0 493.73 24.80 435.27 o 8 3 0 816.24 11.97 702.80 o 0 4 0 500089.41 124.99 495966.54 o 1 4 0 227586.24 40.58 234568.86 o 2 4 0 30895.09 3.61 33025.43 o 3 4 0 27350.54 3.80 25325.65 o 4 4 0 23556.11 4.45 21650.21 o 5 4 0 1152.60 7.13 1405.57 o 6 4 0 4055.14 6.20 3927.26 o 7 4 0 3457.44 4.75 3685.35 o 8 4 0 529.00 39.56 409.48 o 1 5 0 341546.74 75.17 334958.85 o 2 5 0 574.56 2.10 833.09 o 3 5 0 96391.62 13.47 91753.15 o 4 5 0 9044.01 2.31 9720.02 o 5 5 0 22377.17 4.88 21997.81 o 6 5 0 9635.39 4.37 10205.36 o 7 5 0 332.33 13.47 403.16 o 8 5 0 321.84 79.92 144.01 o 0 6 0 182867.42 31.81 180848.73 o 1 6 0 88655.06 12.46 86416.29 o 2 6 0 41.09 44.76 84.21 o 3 6 0 57878.74 8.82 52884.01 o 4 6 0 2322.28 1.88 2192.53 o 5 6 0 1239.04 3.57 1435.13 o 6 6 0 13537.32 4.41 14951.63 o 7 6 0 693.80 17.98 579.79 o 8 6 0 520.75 46.79 292.35 o 1 7 0 19446.30 2.96 20175.92 o 2 7 0 81190.80 10.76 78534.86 o 3 7 0 62590.03 8.12 63111.76 o 4 7 0 6201.56 4.62 7003.66 o 5 7 0 181.71 73.79 24.42 o 6 7 0 5356.78 8.01 4645.54 o 7 7 0 849.14 26.01 461.85 o 8 7 0 71.91 305.20 305.92 o 0 8 0 11720.23 10.63 12040.15 o 1 8 0 8635.98 2.66 8623.82 o 2 8 0 36267.39 4.97 33282.49 o 3 8 0 196.56 2.76 256.01 o 4 8 0 1752.26 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