#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/28/2202809.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_2202809_Fobs loop_ _publ_author_name 'Mizuguchi, Jin' _publ_section_title ; 2,5-Dihydro-2,5-dimethyl-3,6-diphenylpyrrolo[3,4-c]pyrrole-1,4-(diylidene)bis(cyanamide) chloroform disolvate ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1453 _journal_page_last o1454 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_data_source_file ob6291Isup2.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 0 1 1 3706.05 191.10 3813.98 o 1 0 0 603.77 31.56 596.26 o 1 1 0 2907.12 154.02 3011.25 o 1 1 -1 3413.54 174.31 3391.82 o 0 2 1 903.91 43.63 821.46 o 0 0 2 2010.80 103.87 2013.49 o 1 2 0 1267.96 65.60 1285.72 o 1 2 -1 1688.53 88.81 1741.23 o 1 1 1 315.49 16.06 277.94 o 0 1 2 5671.45 305.98 5881.56 o 1 2 1 399.29 19.55 371.71 o 1 2 -2 2287.97 120.99 2293.61 o 0 2 2 2312.39 119.10 2331.95 o 0 3 1 239.47 11.93 217.02 o 2 0 0 8670.51 490.90 9206.52 o 2 0 -2 10391.44 559.67 10747.57 o 1 3 0 23764.96 1314.45 27204.33 o 1 3 -1 811.98 41.75 794.46 o 1 0 2 1395.64 79.94 1316.60 o 2 1 0 20.16 1.55 16.82 o 2 1 -2 4903.29 241.53 4504.16 o 1 1 2 2369.33 122.02 2331.75 o 1 1 -3 1732.68 93.81 1676.93 o 2 2 -1 2997.47 154.21 2982.77 o 1 3 1 8698.61 456.65 8597.98 o 1 3 -2 3676.67 198.47 3551.44 o 0 1 3 1852.58 96.47 1866.72 o 0 3 2 1075.12 59.46 1151.82 o 2 2 0 1997.70 104.22 1865.44 o 2 2 -2 2594.50 134.96 2509.08 o 0 4 0 6063.01 322.21 6099.04 o 1 2 2 135.46 7.12 128.43 o 1 2 -3 914.93 53.14 998.99 o 2 1 1 3590.48 183.62 3538.62 o 2 1 -3 3050.35 155.28 2877.98 o 0 2 3 1143.59 59.20 1135.64 o 1 4 0 18953.75 1013.24 20044.04 o 1 4 -1 17489.38 961.84 19258.40 o 2 3 -1 10248.33 523.53 9955.34 o 2 2 1 2730.35 141.96 2502.40 o 2 3 0 4494.47 243.28 4219.45 o 2 2 -3 14.52 1.53 15.36 o 2 3 -2 8544.14 461.75 8381.15 o 1 3 2 6372.98 327.74 6292.43 o 1 3 -3 228.81 11.86 213.38 o 1 4 1 566.48 28.05 518.10 o 1 4 -2 2018.97 108.82 1964.36 o 1 0 -4 3631.23 187.03 3487.45 o 0 4 2 6377.16 343.43 6286.57 o 1 1 3 941.25 48.03 847.00 o 1 1 -4 12698.25 643.03 12667.86 o 3 0 -2 42725.70 2606.57 49273.52 o 0 3 3 1100.05 57.44 1099.49 o 2 0 2 626.55 34.54 550.55 o 3 1 -1 101.43 7.05 122.52 o 3 1 -2 4857.97 248.49 4687.92 o 2 0 -4 4007.86 281.77 3785.54 o 2 1 2 9296.35 478.14 9148.45 o 0 0 4 214.39 13.11 229.80 o 1 2 3 1501.95 72.47 1320.86 o 2 3 -3 989.97 48.32 883.54 o 2 1 -4 5921.29 326.26 5833.36 o 3 0 0 438.52 25.99 459.91 o 2 4 -1 6095.71 322.34 5760.66 o 1 2 -4 1083.17 56.34 1036.30 o 0 1 4 1127.79 55.51 1058.13 o 0 5 1 180.24 8.86 160.13 o 3 1 0 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521.70 25.88 466.80 o 3 4 -3 532.81 29.03 480.52 o 1 3 4 2511.27 120.10 1988.43 o 4 1 -3 259.01 14.17 249.72 o 0 2 5 3546.08 188.08 3343.43 o 2 3 3 568.19 32.45 591.77 o 1 3 -5 2549.68 132.56 2208.18 o 3 1 -5 2.70 1.42 4.35 o 4 2 -2 361.43 21.24 414.13 o 2 3 -5 3228.96 196.32 3098.87 o 3 2 2 5142.47 289.78 5259.12 o 4 2 -1 2467.88 149.76 2701.32 o 4 0 0 1248.55 85.59 1108.09 o 2 6 -1 2944.04 168.62 3060.85 o 4 2 -3 7.47 1.91 6.93 o 1 5 3 355.93 18.32 342.95 o 3 2 -5 3616.20 276.43 3909.43 o 4 1 0 943.62 49.90 905.95 o 1 5 -4 158.73 9.46 145.41 o 4 0 -4 541.03 37.98 559.27 o 2 6 0 32.66 3.14 34.93 o 2 6 -2 13.73 3.21 24.03 o 3 5 -1 86.27 7.60 104.79 o 3 4 1 97.32 6.98 119.11 o 1 6 2 80.00 5.36 80.00 o 3 5 -2 3171.92 174.39 3142.09 o 4 1 -4 67.74 4.44 71.25 o 1 6 -3 1476.61 82.63 1431.57 o 0 3 5 91.93 6.10 104.75 o 2 0 4 7982.07 462.71 7676.10 o 2 5 2 8.67 2.64 14.52 o 3 4 -4 4646.20 293.95 4535.47 o 4 3 -2 2929.49 200.89 3154.39 o 2 5 -4 2038.09 116.53 2106.24 o 2 1 4 794.75 43.17 794.76 o 0 6 3 5363.86 285.16 5165.70 o 1 4 4 1155.37 62.17 1038.93 o 0 5 4 2069.14 125.27 2050.95 o 3 3 2 36.66 4.13 30.43 o 0 7 1 246.39 11.89 195.29 o 2 0 -6 249.94 16.36 178.41 o 4 3 -1 205.23 11.22 160.13 o 2 4 3 1631.38 87.25 1554.30 o 1 0 -6 2097.47 123.75 2109.34 o 1 4 -5 23.95 3.36 20.22 o 1 1 5 113.95 7.68 138.95 o 3 5 0 2168.33 130.31 2051.43 o 4 3 -3 1906.83 115.65 1997.96 o 4 2 -4 303.95 19.86 351.02 o 2 1 -6 1411.59 81.00 1385.10 o 3 5 -3 882.78 44.06 741.35 o 1 7 0 3236.94 156.28 2768.16 o 1 1 -6 2007.23 108.93 1828.31 o 1 7 -1 7235.04 390.04 7339.15 o 3 3 -5 5.29 3.47 0.67 o 2 4 -5 365.91 23.43 368.34 o 2 6 1 696.98 36.75 581.39 o 2 6 -3 1298.29 72.43 1239.78 o 2 2 4 6.96 3.18 6.86 o 1 2 5 960.15 53.44 877.68 o 2 2 -6 16.15 2.94 16.01 o 4 1 1 41.99 3.92 37.88 o 3 1 3 1366.33 75.85 1169.36 o 1 2 -6 1992.28 112.40 1954.63 o 1 7 1 362.68 23.23 431.30 o 1 7 -2 391.93 19.60 351.25 o 4 3 0 1665.22 93.99 1613.97 o 0 4 5 957.69 56.67 972.63 o 3 0 -6 5227.68 430.34 4980.52 o 4 3 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216.53 14.51 217.95 o 3 5 -5 818.19 45.44 719.58 o 4 1 -6 718.96 46.75 693.91 o 3 6 1 10757.33 611.07 10174.88 o 5 1 -4 3095.34 226.21 3495.60 o 4 2 2 109.49 8.36 108.97 o 1 0 6 1659.87 89.84 1579.19 o 2 1 -7 6.48 4.78 10.94 o 3 0 4 2569.42 163.09 2465.38 o 3 6 -4 916.69 53.94 845.52 o 3 4 3 352.18 21.28 326.72 o 4 4 1 508.29 30.28 542.30 o 1 8 1 590.06 34.07 574.57 o 1 1 6 2346.88 120.64 2244.24 o 1 8 -2 1868.16 102.45 1854.29 o 5 2 -1 507.21 43.41 575.02 o 0 8 2 5.80 4.16 0.92 o 2 2 5 106.84 7.54 116.41 o 1 6 4 1479.12 91.62 1509.76 o 3 1 4 260.96 17.33 273.04 o 1 7 3 278.41 19.56 292.46 o 2 6 3 98.44 6.55 90.97 o 1 6 -5 109.54 6.71 86.23 o 1 1 -7 1382.65 83.09 1229.00 o 4 2 -6 2038.31 110.50 1769.92 o 1 7 -4 2.88 3.87 1.06 o 4 5 0 270.60 16.30 262.79 o 5 2 -4 931.84 73.18 975.33 o 4 4 -5 48.07 5.12 42.66 o 3 4 -6 881.59 65.25 896.84 o 5 0 0 839.41 131.33 767.00 o 2 6 -5 604.57 41.32 588.21 o 3 7 -1 347.20 20.23 373.03 o 2 2 -7 105.02 7.08 79.37 o 3 7 -2 24.76 4.52 21.49 o 5 3 -2 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