#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:17:54 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180997 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/77/2207742.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_2207742_Fobs loop_ _publ_author_name 'Wang, Xiao-Ling' 'Li, Zong-Xiao' 'Qin, Guo-Wei' _publ_section_title ; Cheilanthifoline ; _journal_coeditor_code CI6705 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o81 _journal_page_last o82 _journal_volume 62 _journal_year 2006 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.390 _cell_angle_gamma 90.000 _cell_length_a 13.3140 _cell_length_b 5.1510 _cell_length_c 23.5850 _exptl_crystal_F_000 688.00 _reflns_d_resolution_high 0.8255 _cod_data_source_file ci6705Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C:\XSCANS\Y2015 in C2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 172.60 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' 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 19267.12 20194.98 226.41 o 4 0 0 2070.61 2037.59 18.33 o 6 0 0 54.71 52.95 4.91 o 8 0 0 665.08 661.93 16.34 o 10 0 0 440.92 465.00 16.15 o 12 0 0 71.71 63.15 9.70 o 14 0 0 6.06 16.00 8.26 o 1 1 0 2150.78 1852.61 15.26 o 3 1 0 1552.81 1431.88 16.09 o 5 1 0 448.28 463.14 11.34 o 7 1 0 1168.94 1176.49 20.70 o 9 1 0 451.19 437.14 15.26 o 11 1 0 694.30 696.93 23.21 o 13 1 0 73.13 66.16 10.64 o 15 1 0 7.95 16.27 9.86 o 0 2 0 2698.32 2478.28 24.10 o 2 2 0 439.90 408.16 10.65 o 4 2 0 473.34 482.76 12.85 o 6 2 0 852.45 848.09 19.07 o 8 2 0 446.50 452.85 15.60 o 10 2 0 211.43 180.27 13.80 o 12 2 0 188.80 173.38 14.94 o 14 2 0 3.12 15.61 8.83 o 1 3 0 57.67 48.90 6.05 o 3 3 0 678.70 669.49 17.37 o 5 3 0 61.47 50.98 7.17 o 7 3 0 159.90 153.83 11.67 o 9 3 0 40.48 37.28 9.20 o 11 3 0 399.78 366.02 20.09 o 13 3 0 101.75 108.13 13.17 o 0 4 0 314.69 287.92 15.29 o 2 4 0 677.37 706.51 20.74 o 4 4 0 65.27 59.91 8.68 o 6 4 0 8.85 5.16 7.01 o 8 4 0 88.02 102.92 11.44 o 10 4 0 5.48 5.43 9.38 o 12 4 0 24.09 19.04 12.07 o 1 5 0 0.24 -3.54 8.06 o 3 5 0 187.75 207.09 15.87 o 5 5 0 92.92 102.10 12.81 o 7 5 0 40.36 37.32 11.30 o 9 5 0 101.49 111.53 15.32 o 0 6 0 106.91 99.34 14.86 o 2 6 0 54.22 68.41 13.79 o 4 6 0 82.66 89.47 14.31 o -14 0 1 1.62 5.61 7.28 o -12 0 1 106.11 110.60 10.30 o -10 0 1 324.61 333.92 14.47 o -8 0 1 57.15 55.39 6.12 o -6 0 1 495.24 549.98 11.94 o -4 0 1 99.51 84.30 4.41 o -2 0 1 16407.46 17288.89 203.81 o 2 0 1 289.90 272.88 5.40 o 4 0 1 3755.50 3851.45 26.17 o 6 0 1 1420.80 1459.41 19.87 o 8 0 1 654.95 666.64 16.20 o 10 0 1 139.64 140.00 10.53 o 12 0 1 0.00 0.91 6.76 o 14 0 1 42.85 41.64 10.57 o -15 1 1 13.44 12.05 9.86 o -13 1 1 58.81 62.48 11.28 o -11 1 1 1185.07 1153.90 28.20 o -9 1 1 256.90 259.01 12.30 o -7 1 1 418.00 427.62 12.84 o -5 1 1 7.78 8.38 3.47 o -3 1 1 1513.94 1344.54 15.57 o -1 1 1 1907.98 1758.78 14.85 o 1 1 1 4963.79 4427.89 24.46 o 3 1 1 3008.86 2785.21 22.77 o 5 1 1 2708.41 2656.89 26.35 o 7 1 1 472.72 559.37 14.83 o 9 1 1 531.20 510.13 16.82 o 11 1 1 32.04 38.62 9.72 o 13 1 1 220.30 207.84 15.72 o 15 1 1 2.54 8.51 9.63 o -14 2 1 29.57 30.04 10.29 o -12 2 1 31.92 21.11 9.11 o -10 2 1 165.07 164.58 12.27 o -8 2 1 13.83 7.85 6.55 o -6 2 1 439.32 474.83 14.49 o -4 2 1 655.80 710.30 15.30 o -2 2 1 64.71 52.00 4.96 o 0 2 1 63.05 50.98 6.47 o 2 2 1 1363.96 1310.56 18.73 o 4 2 1 1667.14 1643.00 22.59 o 6 2 1 343.05 357.31 12.76 o 8 2 1 40.76 31.71 7.30 o 10 2 1 782.97 806.94 23.93 o 12 2 1 596.31 587.88 23.75 o 14 2 1 20.26 27.32 9.77 o -13 3 1 45.86 32.92 11.14 o -11 3 1 111.68 107.91 14.02 o -9 3 1 168.62 152.98 13.09 o -7 3 1 59.67 64.15 8.61 o -5 3 1 10.09 8.76 5.57 o -3 3 1 34.51 36.52 5.96 o -1 3 1 175.85 168.74 9.62 o 1 3 1 320.29 306.90 11.71 o 3 3 1 618.24 616.80 16.74 o 5 3 1 468.49 467.19 16.02 o 7 3 1 48.44 48.28 8.15 o 9 3 1 12.89 10.34 8.40 o 11 3 1 222.12 211.43 17.18 o 13 3 1 6.20 13.81 9.88 o -12 4 1 8.30 3.58 9.70 o -10 4 1 22.36 31.93 10.43 o -8 4 1 53.83 55.18 10.41 o -6 4 1 1.94 7.42 7.97 o -4 4 1 62.80 57.05 8.52 o -2 4 1 153.04 144.32 11.17 o 0 4 1 483.11 489.94 12.70 o 2 4 1 19.55 11.00 8.15 o 4 4 1 41.91 44.45 8.67 o 6 4 1 207.52 209.72 14.21 o 8 4 1 144.98 162.16 13.61 o 10 4 1 74.65 81.80 12.10 o 12 4 1 19.19 28.71 10.00 o -9 5 1 188.53 194.90 17.74 o -7 5 1 115.43 130.53 14.68 o -5 5 1 0.59 9.40 9.77 o -3 5 1 34.96 36.96 10.11 o -1 5 1 71.07 78.74 11.37 o 1 5 1 43.82 41.84 10.14 o 3 5 1 170.94 167.86 15.12 o 5 5 1 117.20 98.75 13.72 o 7 5 1 91.37 84.13 13.52 o 9 5 1 3.24 0.64 10.11 o -4 6 1 21.13 15.57 12.12 o -2 6 1 83.41 102.37 15.55 o 0 6 1 36.51 51.80 12.61 o 2 6 1 67.34 60.20 14.18 o 4 6 1 20.06 26.84 11.53 o -16 0 2 84.78 140.24 16.25 o -14 0 2 4.13 -2.03 8.35 o -12 0 2 432.55 446.73 18.68 o -10 0 2 272.06 284.01 13.46 o -8 0 2 414.60 409.65 13.02 o -6 0 2 5.13 6.16 3.36 o -4 0 2 922.09 873.75 11.98 o -2 0 2 1699.68 1757.19 12.65 o 0 0 2 1028.46 945.86 4.79 o 2 0 2 492.86 538.65 7.65 o 4 0 2 3612.14 3528.62 26.80 o 6 0 2 161.75 155.16 7.72 o 8 0 2 291.04 273.61 11.39 o 10 0 2 254.25 265.37 13.14 o 12 0 2 54.81 40.20 8.72 o 14 0 2 50.58 52.69 11.35 o -15 1 2 13.22 17.87 10.39 o -13 1 2 301.75 311.95 18.14 o -11 1 2 1815.90 1826.12 34.19 o -9 1 2 345.31 345.08 13.33 o -7 1 2 1621.12 1562.06 23.62 o -5 1 2 1637.77 1752.65 21.13 o -3 1 2 2341.09 2104.74 19.43 o -1 1 2 2078.57 2026.06 16.40 o 1 1 2 12059.83 11132.34 41.64 o 3 1 2 344.50 298.15 7.79 o 5 1 2 1554.91 1561.53 20.57 o 7 1 2 1024.19 1175.80 20.88 o 9 1 2 279.10 233.79 12.87 o 11 1 2 116.21 114.68 10.64 o 13 1 2 33.66 39.76 10.27 o 15 1 2 40.62 51.06 11.78 o -14 2 2 3.33 9.38 10.07 o -12 2 2 9.49 8.42 7.62 o -10 2 2 82.84 97.38 9.91 o -8 2 2 372.11 401.76 15.07 o -6 2 2 713.57 731.54 17.90 o -4 2 2 188.49 198.06 8.82 o -2 2 2 437.38 464.16 11.16 o 0 2 2 614.94 567.87 8.38 o 2 2 2 45.91 33.24 5.23 o 4 2 2 764.91 727.39 15.93 o 6 2 2 81.23 61.10 7.51 o 8 2 2 233.26 244.84 12.09 o 10 2 2 1071.54 1078.49 27.88 o 12 2 2 284.46 270.95 18.35 o 14 2 2 17.38 13.69 10.13 o -13 3 2 25.25 42.43 10.68 o -11 3 2 118.73 120.97 12.95 o -9 3 2 170.58 166.23 12.58 o -7 3 2 439.86 431.29 16.35 o -5 3 2 164.38 144.83 10.05 o -3 3 2 30.60 28.24 5.39 o -1 3 2 486.32 521.40 14.56 o 1 3 2 462.21 463.11 14.53 o 3 3 2 309.07 291.84 12.58 o 5 3 2 36.75 36.32 7.60 o 7 3 2 27.71 22.23 6.87 o 9 3 2 10.25 17.80 7.46 o 11 3 2 15.50 19.81 10.57 o 13 3 2 19.93 11.57 9.43 o -12 4 2 33.05 18.15 11.98 o -10 4 2 5.58 9.56 9.63 o -8 4 2 13.51 12.23 7.33 o -6 4 2 27.04 27.07 9.04 o -4 4 2 60.17 61.80 8.77 o -2 4 2 409.24 442.67 16.69 o 0 4 2 898.21 922.22 17.08 o 2 4 2 117.29 119.41 10.64 o 4 4 2 6.51 7.24 7.65 o 6 4 2 104.80 121.20 12.17 o 8 4 2 170.89 180.90 15.71 o 10 4 2 15.50 21.20 9.75 o -9 5 2 0.38 1.12 9.27 o -7 5 2 41.65 37.28 11.23 o -5 5 2 79.90 67.10 11.64 o -3 5 2 196.05 175.69 15.44 o -1 5 2 74.60 78.53 12.08 o 1 5 2 38.60 42.71 9.84 o 3 5 2 22.82 33.94 10.82 o 5 5 2 75.84 83.21 12.12 o 7 5 2 90.64 80.20 13.47 o 9 5 2 61.72 69.10 13.19 o -4 6 2 87.63 102.99 14.75 o -2 6 2 55.58 69.30 14.34 o 0 6 2 4.98 6.05 6.66 o 2 6 2 9.72 6.09 10.41 o 4 6 2 11.31 18.21 11.07 o -16 0 3 35.29 40.84 11.02 o -14 0 3 6.75 18.49 7.97 o -12 0 3 600.61 613.86 21.55 o -10 0 3 393.46 389.15 16.19 o -8 0 3 325.55 363.23 12.37 o -6 0 3 73.87 83.22 5.48 o -4 0 3 418.39 423.00 8.76 o -2 0 3 10009.42 9799.67 33.55 o 0 0 3 509.68 461.50 5.43 o 2 0 3 2273.09 2263.03 16.62 o 4 0 3 75.78 88.17 4.98 o 6 0 3 309.11 356.21 11.51 o 8 0 3 658.42 749.33 17.62 o 10 0 3 22.84 19.77 6.89 o 12 0 3 81.78 72.81 9.75 o 14 0 3 25.74 36.22 9.15 o -15 1 3 33.45 27.32 10.16 o -13 1 3 83.05 75.55 11.10 o -11 1 3 361.92 354.58 16.73 o -9 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4 132.29 135.34 13.47 o 1 5 4 9.97 15.84 9.15 o 3 5 4 61.38 64.67 11.39 o 5 5 4 11.50 19.13 10.09 o 7 5 4 17.50 10.68 9.47 o -4 6 4 73.53 93.78 13.42 o -2 6 4 22.23 38.37 12.12 o 0 6 4 37.84 51.61 8.06 o 2 6 4 49.67 53.55 12.65 o -16 0 5 4.06 1.85 8.88 o -14 0 5 0.62 1.12 7.74 o -12 0 5 3098.94 3024.02 46.66 o -10 0 5 205.83 201.26 13.39 o -8 0 5 26.02 30.38 5.11 o -6 0 5 410.53 431.09 11.04 o -4 0 5 4858.91 4747.08 30.03 o -2 0 5 1331.83 1367.28 13.48 o 0 0 5 1367.83 1194.91 9.77 o 2 0 5 692.30 678.05 10.45 o 4 0 5 91.18 102.54 5.89 o 6 0 5 5512.43 5849.77 44.59 o 8 0 5 2.06 7.12 6.03 o 10 0 5 0.68 0.87 6.89 o 12 0 5 6.21 1.67 7.55 o 14 0 5 11.16 3.70 9.75 o -15 1 5 49.63 59.03 12.35 o -13 1 5 89.57 90.69 11.32 o -11 1 5 209.22 193.26 13.52 o -9 1 5 142.97 139.46 9.16 o -7 1 5 535.19 587.89 15.02 o -5 1 5 4098.83 4298.22 34.28 o -3 1 5 1767.55 1761.60 19.06 o -1 1 5 4823.70 4500.00 28.30 o 1 1 5 4125.16 4096.32 27.54 o 3 1 5 2857.10 2857.21 26.02 o 5 1 5 157.05 123.23 7.15 o 7 1 5 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