#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:40:12 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180797 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/28/2012841.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_2012841_Fobs
loop_
_publ_author_name
'Linden, Anthony'
'\,Safak, Cihat'
'Kismetl\?i, Emrah'
_publ_section_title
;
 <i>N</i>,<i>N</i>-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o436
_journal_page_last               o438
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   28.2157
_cell_length_b                   28.2157
_cell_length_c                   14.2592
_exptl_crystal_F_000             3960.00
_reflns_d_resolution_high        0.8404
_cod_data_source_file            sk1560Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' L0205'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            451.02
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'x, x-y, z+1/2'
'-x+y, y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
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 2 -16 1434.22 1925.56 662.56 o
-1 3 -16 441.25 393.28 620.97 o
-3 4 -16 462.94 -600.27 600.27 o
-5 5 -16 671.87 1345.52 289.80 o
-2 5 -16 58.38 -558.81 558.81 o
-4 6 -16 321.57 413.96 269.08 o
-1 6 -16 197.40 372.55 517.44 o
-6 7 -16 38.11 -20.70 331.14 o
-3 7 -16 967.95 144.91 310.53 o
-8 8 -16 445.59 206.99 372.58 o
-5 8 -16 19.88 786.46 372.54 o
-2 8 -16 13.09 -144.87 310.45 o
-7 9 -16 14.69 -144.87 331.14 o
-4 9 -16 410.54 310.48 331.18 o
-1 9 -16 466.25 538.17 248.39 o
-9 10 -16 49.19 -62.09 393.23 o
-6 10 -16 120.36 351.85 434.64 o
-3 10 -16 138.13 186.27 331.15 o
-5 11 -16 386.13 -248.38 372.57 o
-1 2 -15 1845.71 1387.44 517.70 o
-2 4 -15 116.13 -186.27 331.15 o
-4 5 -15 44.02 62.09 186.27 o
-1 5 -15 967.32 910.91 351.94 o
-3 6 -15 2064.10 1449.65 600.57 o
-5 7 -15 171.62 -206.97 227.67 o
-2 7 -15 1085.16 1117.97 414.06 o
-7 8 -15 280.16 -186.28 289.77 o
-4 8 -15 973.37 1262.84 579.67 o
-1 8 -15 12.25 0.00 248.36 o
-6 9 -15 483.57 724.47 455.38 o
-3 9 -15 1353.28 1200.87 476.21 o
-8 10 -15 808.39 579.63 331.22 o
-5 10 -15 38.70 103.48 206.97 o
-2 10 -15 1856.87 1760.15 248.49 o
-10 11 -15 1296.85 1118.02 414.08 o
-7 11 -15 498.32 289.79 186.29 o
-4 11 -15 838.03 1159.28 227.72 o
-1 11 -15 1323.07 1221.55 248.45 o
-9 12 -15 65.33 103.48 331.15 o
-6 12 -15 808.22 662.44 207.01 o
-3 12 -15 607.39 869.40 248.40 o
-11 13 -15 196.07 683.02 372.55 o
-8 13 -15 277.61 807.22 227.68 o
-5 13 -15 160.64 558.83 248.37 o
-2 13 -15 1433.18 1842.72 289.87 o
-13 14 -15 574.26 372.59 434.69 o
-10 14 -15 34.34 -103.48 248.36 o
-7 14 -15 235.95 434.65 248.37 o
-4 14 -15 227.74 434.65 310.46 o
-1 14 -15 65.89 -144.88 289.75 o
-9 15 -15 480.45 413.98 269.09 o
-6 15 -15 1080.81 1076.54 289.84 o
-1 1 -14 528.31 434.70 269.10 o
-2 3 -14 11.77 -103.48 103.48 o
-4 4 -14 1211.34 1097.33 227.75 o
-1 4 -14 52.37 -144.88 165.57 o
-3 5 -14 1825.31 1718.81 434.88 o
-5 6 -14 1573.01 1325.23 310.60 o
-2 6 -14 346.03 289.78 165.59 o
-7 7 -14 1631.05 1573.73 393.43 o
-4 7 -14 899.69 517.56 248.43 o
-1 7 -14 715.47 786.64 186.31 o
-6 8 -14 190.33 269.07 248.37 o
-3 8 -14 1554.02 1428.75 289.89 o
-8 9 -14 2466.55 1864.10 476.38 o
-5 9 -14 1670.45 1428.79 289.90 o
-2 9 -14 369.60 351.88 165.59 o
-10 10 -14 652.80 683.11 351.91 o
-7 10 -14 1038.15 828.12 227.73 o
-4 10 -14 496.23 103.50 165.60 o
-1 10 -14 88.90 82.79 144.88 o
-9 11 -14 1207.43 1097.31 351.97 o
-6 11 -14 205.96 186.28 144.88 o
-3 11 -14 725.56 579.63 227.71 o
-11 12 -14 737.14 641.73 331.21 o
-8 12 -14 680.59 579.62 248.41 o
-5 12 -14 1482.44 1677.16 517.64 o
-2 12 -14 3428.04 3770.63 1077.32 o
-13 13 -14 3653.88 4060.84 310.78 o
-10 13 -14 60.31 310.45 248.36 o
-7 13 -14 665.20 621.01 248.41 o
-4 13 -14 3159.01 3128.11 911.50 o
-1 13 -14 695.61 558.92 207.01 o
-12 14 -14 742.00 786.63 248.41 o
-9 14 -14 178.45 248.37 227.67 o
-6 14 -14 113.41 372.55 310.45 o
-3 14 -14 609.91 558.90 289.80 o
-14 15 -14 21.70 82.79 186.27 o
-11 15 -14 220.36 -20.70 289.77 o
-8 15 -14 17.18 -41.39 227.66 o
-5 15 -14 220.13 124.19 248.37 o
-2 15 -14 77.86 558.81 289.75 o
-16 16 -14 470.40 827.96 269.09 o
-13 16 -14 663.53 455.41 351.90 o
-10 16 -14 170.26 248.37 248.37 o
-7 16 -14 217.61 248.37 248.37 o
-4 16 -14 2662.02 2361.19 331.40 o
-1 16 -14 1570.66 1718.56 393.40 o
-15 17 -14 704.07 517.51 207.00 o
-12 17 -14 44.53 103.48 269.06 o
-9 17 -14 425.68 890.05 269.08 o
-6 17 -14 1158.34 1304.30 289.84 o
-3 17 -14 283.08 -103.49 289.77 o
-14 18 -14 508.78 310.49 351.89 o
-11 18 -14 126.81 496.73 248.36 o
-8 18 -14 448.92 351.88 310.48 o
-5 18 -14 15.57 -20.70 351.84 o
-1 3 -13 938.74 745.31 144.92 o
-3 4 -13 623.84 455.42 144.91 o
-2 5 -13 504.35 393.30 124.20 o
-4 6 -13 1943.93 1532.54 227.81 o
-1 6 -13 7499.64 7863.95 580.98 o
-6 7 -13 276.85 206.98 165.59 o
-3 7 -13 203.48 82.79 103.49 o
-5 8 -13 238.23 -62.09 103.49 o
-2 8 -13 984.78 807.42 165.62 o
-7 9 -13 947.65 1262.87 207.03 o
-4 9 -13 2532.15 2527.08 289.99 o
-1 9 -13 2147.70 2216.07 289.95 o
-9 10 -13 1282.03 1138.77 207.05 o
-6 10 -13 850.60 869.49 165.62 o
-3 10 -13 3466.54 3522.38 414.40 o
-8 11 -13 100.92 62.09 144.88 o
-5 11 -13 2140.44 2402.44 310.66 o
-2 11 -13 693.80 641.73 165.61 o
-10 12 -13 2145.79 2423.12 455.63 o
-7 12 -13 843.75 952.29 227.72 o
-4 12 -13 826.58 910.88 227.72 o
-1 12 -13 1493.22 1490.84 310.59 o
-12 13 -13 1010.14 1055.84 248.43 o
-9 13 -13 1157.91 1469.97 289.85 o
-6 13 -13 4929.50 4871.24 787.69 o
-3 13 -13 1468.00 1387.29 310.59 o
-11 14 -13 3863.30 3688.35 663.07 o
-8 14 -13 64.18 -20.70 165.57 o
-5 14 -13 243.95 351.86 206.98 o
-2 14 -13 565.57 558.90 248.40 o
-13 15 -13 1304.56 1366.50 372.68 o
-10 15 -13 430.65 434.68 227.69 o
-7 15 -13 378.09 206.99 186.29 o
-4 15 -13 898.34 745.27 289.83 o
-1 15 -13 2166.60 2568.01 724.84 o
-15 16 -13 676.15 641.71 207.00 o
-12 16 -13 146.81 206.97 144.88 o
-9 16 -13 457.99 372.59 206.99 o
-6 16 -13 560.09 434.70 248.40 o
-3 16 -13 140.84 496.73 269.06 o
-14 17 -13 1080.80 1117.96 186.33 o
-11 17 -13 1116.88 952.35 372.66 o
-8 17 -13 523.71 413.99 227.69 o
-5 17 -13 308.37 413.96 289.77 o
-2 17 -13 317.51 -41.40 248.38 o
-16 18 -13 98.33 -103.48 269.06 o
-13 18 -13 265.22 144.89 206.98 o
-10 18 -13 21.54 -144.87 248.36 o
-7 18 -13 211.62 476.04 248.37 o
-4 18 -13 323.11 351.87 248.38 o
-1 18 -13 163.56 -103.49 351.85 o
-18 19 -13 314.47 517.45 331.17 o
-15 19 -13 760.63 414.02 248.41 o
-12 19 -13 40.21 186.27 186.27 o
-9 19 -13 528.39 890.08 310.49 o
-6 19 -13 1256.76 1304.34 289.85 o
-3 19 -13 1429.04 1262.99 331.28 o
-14 20 -13 1163.90 1076.56 248.44 o
-11 20 -13 870.01 1055.77 186.31 o
-8 20 -13 1102.00 1055.84 331.25 o
-5 20 -13 138.03 -165.58 310.46 o
-13 21 -13 295.01 724.43 227.68 o
-10 21 -13 5.62 103.48 186.27 o
-7 21 -13 318.84 372.57 372.57 o
-1 2 -12 910.83 766.02 124.22 o
-3 3 -12 6424.95 6742.39 394.17 o
-2 4 -12 717.65 765.97 103.51 o
-4 5 -12 7261.81 7408.32 498.04 o
-1 5 -12 1290.48 1076.72 124.24 o
-6 6 -12 7860.26 8073.80 581.15 o
-3 6 -12 2458.51 2527.22 186.43 o
-5 7 -12 1898.22 1988.21 186.39 o
-2 7 -12 11269.21 12011.15 872.78 o
-7 8 -12 2264.93 1760.60 207.13 o
-4 8 -12 1313.18 1283.77 165.65 o
-1 8 -12 2719.14 2879.57 269.31 o
-9 9 -12 2713.57 2465.18 207.16 o
-6 9 -12 5392.94 5142.47 393.98 o
-3 9 -12 254.32 331.17 124.19 o
-8 10 -12 3557.34 3149.72 269.38 o
-5 10 -12 3598.50 3584.97 310.84 o
-2 10 -12 6777.55 6596.90 518.62 o
-10 11 -12 402.27 455.38 103.50 o
-7 11 -12 175.02 165.58 124.19 o
-4 11 -12 725.03 434.73 144.91 o
-1 11 -12 4682.61 4829.90 518.23 o
-12 12 -12 1248.20 1366.52 227.75 o
-9 12 -12 874.61 807.39 186.32 o
-6 12 -12 441.73 786.58 165.60 o
-3 12 -12 1124.26 828.17 186.34 o
-11 13 -12 199.79 165.58 103.49 o
-8 13 -12 245.38 227.68 165.58 o
-5 13 -12 189.34 20.70 144.88 o
-2 13 -12 957.19 1097.25 207.03 o
-13 14 -12 49.96 -20.70 124.18 o
-10 14 -12 838.56 910.89 144.91 o
-7 14 -12 304.32 124.19 144.89 o
-4 14 -12 5750.31 6262.05 684.26 o
-1 14 -12 3340.31 3294.24 559.40 o
-15 15 -12 563.25 662.40 207.00 o
-12 15 -12 64.68 103.48 124.18 o
-9 15 -12 630.22 807.32 144.90 o
-6 15 -12 222.46 269.07 165.58 o
-3 15 -12 5661.22 6551.87 1098.89 o
-14 16 -12 1444.67 973.16 207.06 o
-11 16 -12 445.08 310.49 144.89 o
-8 16 -12 937.11 1014.42 248.43 o
-5 16 -12 464.62 351.89 206.99 o
-2 16 -12 419.73 248.39 206.99 o
-16 17 -12 476.73 289.79 206.99 o
-13 17 -12 360.08 289.78 144.89 o
-10 17 -12 391.87 331.18 144.89 o
-7 17 -12 1660.13 1739.39 310.61 o
-4 17 -12 2675.96 2485.61 476.41 o
-1 17 -12 51.86 20.70 124.18 o
-18 18 -12 266.93 103.49 269.07 o
-15 18 -12 162.81 82.79 165.58 o
-12 18 -12 133.46 310.46 165.58 o
-9 18 -12 31.17 165.57 124.18 o
-6 18 -12 1995.35 2050.19 517.72 o
-3 18 -12 274.96 372.56 165.58 o
-17 19 -12 405.19 413.98 289.78 o
-14 19 -12 363.33 372.57 206.99 o
-11 19 -12 230.39 165.58 165.58 o
-8 19 -12 762.82 786.64 289.82 o
-5 19 -12 656.87 890.12 289.81 o
-2 19 -12 356.84 144.89 144.89 o
-19 20 -12 94.61 496.72 393.24 o
-16 20 -12 57.59 227.66 248.36 o
-13 20 -12 124.69 289.76 165.58 o
-10 20 -12 200.76 351.86 186.28 o
-7 20 -12 58.48 62.09 144.88 o
-4 20 -12 843.68 1035.07 207.01 o
-1 20 -12 32.83 0.00 227.66 o
-18 21 -12 106.46 -331.15 351.85 o
-15 21 -12 538.96 227.69 227.69 o
-12 21 -12 56.99 -20.70 165.57 o
-9 21 -12 25.98 144.88 206.96 o
-6 21 -12 107.07 -41.39 186.27 o
-3 21 -12 408.75 620.96 248.38 o
-17 22 -12 183.90 227.67 269.07 o
-14 22 -12 159.13 165.58 248.37 o
-11 22 -12 105.27 124.18 248.36 o
-8 22 -12 780.77 993.64 227.71 o
-5 22 -12 1449.77 1283.70 248.46 o
-16 23 -12 305.30 393.26 289.77 o
-13 23 -12 17.16 -206.96 227.66 o
-10 23 -12 44.01 -82.79 351.84 o
-7 23 -12 82.60 -144.88 269.06 o
-2 3 -11 3214.78 2859.79 207.23 o
-1 4 -11 1217.51 1097.44 103.53 o
-3 5 -11 562.88 517.52 82.80 o
-5 6 -11 3351.02 3481.54 227.96 o
-2 6 -11 448.79 496.80 103.50 o
-4 7 -11 7340.29 7305.90 435.86 o
-1 7 -11 5760.77 6243.45 373.36 o
-6 8 -11 4687.45 4644.28 290.27 o
-3 8 -11 1485.67 1304.61 124.25 o
-8 9 -11 2425.00 2320.09 165.72 o
-5 9 -11 991.11 1242.24 144.93 o
-2 9 -11 3754.92 3730.60 248.71 o
-7 10 -11 8656.98 8492.00 498.31 o
-4 10 -11 10220.63 10512.19 602.48 o
-1 10 -11 2798.77 2921.18 207.18 o
-9 11 -11 2880.99 2983.38 207.18 o
-6 11 -11 4030.07 4290.47 290.18 o
-3 11 -11 1838.78 1594.68 165.68 o
-11 12 -11 2490.12 2465.02 227.86 o
-8 12 -11 20.55 20.70 82.79 o
-5 12 -11 1725.02 1449.64 186.38 o
-2 12 -11 3180.51 3273.71 290.08 o
-10 13 -11 7874.93 9214.53 622.60 o
-7 13 -11 6076.29 6699.31 477.04 o
-4 13 -11 6929.77 7012.44 560.17 o
-1 13 -11 2327.90 2257.71 227.84 o
-12 14 -11 3170.94 2983.49 248.62 o
-9 14 -11 563.19 414.01 103.50 o
-6 14 -11 331.65 393.27 82.79 o
-3 14 -11 2235.51 2299.05 248.55 o
-14 15 -11 631.51 703.82 165.60 o
-11 15 -11 3398.76 3791.78 414.40 o
-8 15 -11 13.88 -20.70 103.48 o
-5 15 -11 1419.55 1470.15 165.65 o
-2 15 -11 1447.29 1718.62 207.06 o
-13 16 -11 1756.92 1698.08 227.79 o
-10 16 -11 262.82 289.77 144.89 o
-7 16 -11 345.61 455.37 124.19 o
-4 16 -11 163.82 165.58 103.49 o
-1 16 -11 2381.16 2858.29 331.40 o
-15 17 -11 261.02 269.07 186.28 o
-12 17 -11 562.20 517.50 144.90 o
-9 17 -11 1165.37 1262.96 186.34 o
-6 17 -11 687.75 765.94 165.61 o
-3 17 -11 2857.22 3065.87 497.17 o
-17 18 -11 211.95 289.77 227.67 o
-14 18 -11 248.74 62.09 144.89 o
-11 18 -11 36.62 124.18 124.18 o
-8 18 -11 444.96 372.59 144.89 o
-5 18 -11 2323.01 2526.82 455.66 o
-2 18 -11 719.73 1138.55 248.41 o
-16 19 -11 231.83 476.05 227.68 o
-13 19 -11 681.30 662.42 186.31 o
-10 19 -11 417.39 476.08 165.59 o
-7 19 -11 135.21 -20.70 144.88 o
-4 19 -11 1496.73 1345.88 310.59 o
-1 19 -11 582.56 289.80 186.30 o
-18 20 -11 210.64 124.19 248.37 o
-15 20 -11 1202.58 973.08 289.85 o
-12 20 -11 273.82 227.68 144.89 o
-9 20 -11 265.46 206.98 165.58 o
-6 20 -11 203.29 -165.58 186.28 o
-3 20 -11 128.84 -41.39 186.27 o
-20 21 -11 191.59 186.28 372.55 o
-17 21 -11 350.48 206.98 206.98 o
-14 21 -11 95.26 186.27 165.58 o
-11 21 -11 425.51 476.08 186.29 o
-8 21 -11 58.29 186.27 186.27 o
-5 21 -11 179.89 165.58 186.28 o
-2 21 -11 531.58 124.20 248.39 o
-19 22 -11 98.78 -41.39 331.15 o
-16 22 -11 565.02 351.90 186.30 o
-13 22 -11 16.51 -82.79 165.57 o
-10 22 -11 21.84 -82.79 186.27 o
-7 22 -11 883.84 910.88 207.02 o
-4 22 -11 600.48 289.80 227.70 o
-1 22 -11 781.04 724.53 310.51 o
-21 23 -11 46.13 62.09 455.32 o
-18 23 -11 93.68 206.97 331.15 o
-15 23 -11 379.52 186.29 206.99 o
-12 23 -11 165.93 103.49 206.97 o
-9 23 -11 134.17 -165.58 227.67 o
-6 23 -11 215.77 -248.37 248.37 o
-3 23 -11 875.47 724.55 351.92 o
-17 24 -11 286.99 269.07 248.38 o
-14 24 -11 134.52 372.55 206.97 o
-11 24 -11 437.73 724.46 227.69 o
-8 24 -11 136.99 310.46 269.06 o
-5 24 -11 157.39 248.37 310.46 o
-16 25 -11 44.06 186.27 269.06 o
-13 25 -11 261.26 331.17 289.77 o
-10 25 -11 558.62 786.58 289.79 o
-2 2 -10 2841.18 2569.56 165.78 o
-1 3 -10 1248.59 1366.71 103.54 o
-3 4 -10 589.77 558.94 82.81 o
-5 5 -10 246.28 206.98 62.10 o
-2 5 -10 1866.02 1843.45 124.28 o
-4 6 -10 2217.03 2195.88 145.01 o
-1 6 -10 63.02 -20.70 82.79 o
-6 7 -10 5867.35 6058.11 290.46 o
-3 7 -10 193.30 206.98 82.79 o
-8 8 -10 8752.10 9471.01 477.70 o
-5 8 -10 1131.05 931.77 124.24 o
-2 8 -10 1189.26 1242.39 124.24 o
-7 9 -10 2466.34 2506.75 165.74 o
-4 9 -10 4190.65 4353.64 269.51 o
-1 9 -10 788.23 973.03 124.22 o
-9 10 -10 3591.44 3668.41 227.98 o
-6 10 -10 10585.61 10371.12 602.73 o
-3 10 -10 5794.76 6202.47 352.65 o
-11 11 -10 5393.27 5578.70 331.82 o
-8 11 -10 2305.53 2278.64 145.00 o
-5 11 -10 2001.26 2112.68 186.41 o
-2 11 -10 4369.35 4063.34 269.51 o
-10 12 -10 9104.45 9553.06 539.96 o
-7 12 -10 1845.01 1781.14 144.98 o
-4 12 -10 3058.15 3004.48 186.49 o
-1 12 -10 2723.79 3314.79 207.17 o
-12 13 -10 6447.24 6887.36 435.65 o
-9 13 -10 867.26 538.28 103.52 o
-6 13 -10 515.96 372.61 82.80 o
-3 13 -10 2442.83 2672.25 186.44 o
-14 14 -10 8090.57 9360.62 767.94 o
-11 14 -10 4190.02 4000.47 269.46 o
-8 14 -10 747.65 848.78 124.21 o
-5 14 -10 1188.12 1180.20 124.23 o
-2 14 -10 4275.84 4041.99 290.19 o
-13 15 -10 2281.19 2547.68 248.55 o
-10 15 -10 2800.24 2817.53 227.89 o
-7 15 -10 1928.18 2091.78 186.40 o
-4 15 -10 3144.65 3025.05 269.35 o
-1 15 -10 2188.31 2154.05 207.12 o
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