#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:18:50 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181000 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/80/2208098.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_2208098_Fobs
loop_
_publ_author_name
'Jiang, Fa-Qin'
'Hu, Yong-Zhou'
_publ_section_title
;
 3-Ethylsulfonyl-2-phenylquinoxaline 1,4-dioxide
;
_journal_coeditor_code           IS6179
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o649
_journal_page_last               o650
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cod_data_source_file            is6179Isup2.hkl
_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 218331.91 18.75 211767.43 o
4 0 0 103349.39 8.01 106471.43 o
6 0 0 16366.08 2.10 16537.55 o
8 0 0 114189.93 11.90 115849.83 o
10 0 0 1038.13 9.92 1220.02 o
12 0 0 435.14 24.90 719.92 o
1 1 0 32353.22 2.69 34201.85 o
2 1 0 321228.23 30.03 322610.11 o
3 1 0 21088.85 2.13 21044.67 o
4 1 0 2197.73 2.86 1373.16 o
5 1 0 330.88 18.58 61.20 o
6 1 0 876.75 10.11 1263.55 o
7 1 0 30905.64 5.57 32795.24 o
8 1 0 106184.74 11.16 106785.14 o
9 1 0 6832.68 3.92 6860.36 o
10 1 0 8049.68 4.33 8254.83 o
11 1 0 2799.47 11.97 2857.64 o
12 1 0 1155.32 13.91 826.72 o
1 2 0 28842.23 2.89 32152.21 o
2 2 0 173.71 19.10 96.30 o
3 2 0 298.94 7.95 90.98 o
4 2 0 332.33 8.12 506.62 o
5 2 0 22973.46 2.40 18629.52 o
6 2 0 6935.56 2.43 8180.18 o
7 2 0 3191.12 4.41 2655.90 o
8 2 0 1855.02 5.43 1378.25 o
9 2 0 17098.18 4.33 17071.27 o
10 2 0 465.70 18.66 544.36 o
11 2 0 419.43 26.63 409.80 o
12 2 0 122.77 80.28 10.40 o
1 3 0 11161.92 3.61 11182.46 o
2 3 0 549.90 7.73 567.01 o
3 3 0 39525.42 3.76 34278.04 o
4 3 0 94433.29 7.84 85698.61 o
5 3 0 17371.24 2.72 15977.59 o
6 3 0 11337.99 2.50 11371.93 o
7 3 0 41188.70 4.88 42749.43 o
8 3 0 17718.27 2.99 20041.51 o
9 3 0 51.41 117.94 18.69 o
10 3 0 2393.17 6.97 2427.62 o
11 3 0 3010.72 6.40 2931.47 o
12 3 0 3450.39 8.70 3244.06 o
0 4 0 142015.92 12.32 162203.52 o
1 4 0 71802.56 36.48 70745.63 o
2 4 0 55965.36 4.24 56505.12 o
3 4 0 98797.06 9.12 95061.55 o
4 4 0 752.95 9.99 1040.23 o
5 4 0 22608.13 3.17 23396.57 o
6 4 0 32026.68 3.69 35301.97 o
7 4 0 286.62 8.41 199.83 o
8 4 0 24655.28 3.92 27646.42 o
9 4 0 12789.35 4.97 13513.22 o
10 4 0 1069.94 7.18 1049.10 o
11 4 0 1974.02 8.41 1792.68 o
12 4 0 1617.65 14.29 1540.72 o
1 5 0 157458.18 117.94 151443.75 o
2 5 0 21345.21 2.34 23564.81 o
3 5 0 6523.79 9.61 7043.44 o
4 5 0 635.54 16.16 213.64 o
5 5 0 3518.86 6.86 3968.42 o
6 5 0 694.32 22.85 799.33 o
7 5 0 1340.29 9.30 1562.35 o
8 5 0 131.79 78.15 325.72 o
9 5 0 1131.65 4.54 1508.57 o
10 5 0 13.84 725.76 41.61 o
11 5 0 4812.20 8.29 5083.50 o
0 6 0 45245.54 70.22 47470.03 o
1 6 0 29.59 449.02 273.51 o
2 6 0 509.86 4.16 567.01 o
3 6 0 9607.92 5.02 9955.45 o
4 6 0 15966.85 4.12 17053.35 o
5 6 0 1085.70 17.06 862.62 o
6 6 0 20212.31 4.37 19712.57 o
7 6 0 1942.16 8.29 2216.05 o
8 6 0 4609.05 8.41 4267.82 o
9 6 0 3830.37 7.84 3251.88 o
10 6 0 4170.58 8.12 3588.89 o
1 7 0 890.43 9.99 866.66 o
2 7 0 25392.42 6.71 27259.84 o
3 7 0 11046.01 9.12 10510.74 o
4 7 0 3146.09 11.83 2894.44 o
5 7 0 26542.93 5.86 26786.06 o
6 7 0 4.00 1950.99 15.84 o
7 7 0 260.82 58.98 97.65 o
8 7 0 2050.28 10.18 2095.00 o
9 7 0 1794.37 15.68 1689.61 o
10 7 0 280.90 53.88 291.96 o
0 8 0 142.56 28.20 54.93 o
1 8 0 308.70 31.36 610.29 o
2 8 0 643.64 17.39 519.05 o
3 8 0 22530.01 7.51 21808.04 o
4 8 0 3246.72 12.11 3212.86 o
5 8 0 2992.09 23.43 3189.57 o
6 8 0 4888.81 9.49 5201.61 o
7 8 0 967.21 91.20 361.32 o
8 8 0 610.58 79.92 563.75 o
1 9 0 1851.58 5.38 2196.71 o
2 9 0 4949.12 6.45 4143.22 o
3 9 0 98.41 138.06 41.61 o
4 9 0 4232.80 9.99 3523.42 o
5 9 0 276.89 104.04 65.57 o
6 9 0 104.24 186.87 83.30 o
7 9 0 58.83 319.69 0.23 o
1 10 0 1049.76 1405.50 398.77 o
2 10 0 1423.55 14.36 1186.70 o
3 10 0 688.01 53.58 705.27 o
4 10 0 372.49 71.74 227.92 o
5 10 0 93.51 247.75 129.76 o
1 11 0 782.88 42.12 613.69 o
-13 0 1 5826.27 11.76 4794.18 o
-11 0 1 978.44 41.34 716.24 o
-9 0 1 95301.86 11.56 94976.94 o
-7 0 1 30639.00 4.24 33344.32 o
-5 0 1 191345.00 17.81 185007.80 o
-3 0 1 167903.26 13.47 166711.67 o
3 0 1 204385.37 17.06 210317.29 o
5 0 1 9562.88 1.93 12373.66 o
7 0 1 8628.55 2.89 8735.47 o
9 0 1 1637.82 9.42 1622.59 o
11 0 1 267.00 39.82 390.59 o
-12 1 1 1081.09 23.91 799.33 o
-11 1 1 5192.64 5.34 4680.82 o
-10 1 1 174.24 48.58 179.06 o
-9 1 1 151.54 57.46 315.89 o
-8 1 1 29121.42 5.24 29032.57 o
-7 1 1 74169.08 7.62 75382.26 o
-6 1 1 1332.25 5.02 1158.50 o
-5 1 1 4010.69 2.07 3402.28 o
-4 1 1 106315.12 8.53 92122.55 o
-3 1 1 246820.18 22.09 234183.70 o
-2 1 1 55347.27 3.88 54500.52 o
-1 1 1 186624.00 14.36 179500.35 o
1 1 1 105703.01 8.70 98175.67 o
2 1 1 263076.67 22.47 280287.62 o
3 1 1 65234.27 4.58 71257.61 o
4 1 1 150156.25 12.53 135895.18 o
5 1 1 4744.45 1.82 4485.72 o
6 1 1 40626.43 3.88 37341.98 o
7 1 1 9637.35 2.40 9481.93 o
8 1 1 13458.32 3.50 14520.48 o
9 1 1 45.16 168.48 70.09 o
10 1 1 1284.51 9.80 932.51 o
11 1 1 3472.74 7.40 3564.27 o
12 1 1 3383.75 7.62 2509.45 o
-12 2 1 104.45 148.35 213.64 o
-11 2 1 992.25 12.82 895.17 o
-10 2 1 1373.44 9.73 1398.70 o
-9 2 1 991.62 11.02 1058.01 o
-8 2 1 44.62 115.13 16.39 o
-7 2 1 8206.55 3.24 8180.18 o
-6 2 1 2613.25 3.88 2705.64 o
-5 2 1 1202.70 7.13 567.01 o
-4 2 1 201026.69 18.40 182126.51 o
-3 2 1 70793.24 5.86 65762.49 o
-2 2 1 790.17 5.86 970.61 o
-1 2 1 156990.29 12.04 149686.35 o
0 2 1 124333.81 9.30 122818.50 o
1 2 1 13775.72 2.04 15821.84 o
2 2 1 135.72 6.20 280.36 o
3 2 1 4464.91 1.59 3797.39 o
4 2 1 387680.57 40.45 357000.77 o
5 2 1 9572.67 1.90 10595.33 o
6 2 1 2687.39 2.28 2592.63 o
7 2 1 32353.22 3.80 33169.12 o
8 2 1 2595.90 5.66 2333.87 o
9 2 1 2906.29 5.52 2857.64 o
10 2 1 4653.97 4.08 4258.86 o
11 2 1 2077.54 9.18 1757.98 o
12 2 1 4205.52 6.76 4348.89 o
-12 3 1 7899.65 9.99 7751.49 o
-11 3 1 907.82 12.60 1139.89 o
-10 3 1 76.74 132.71 20.51 o
-9 3 1 3025.00 4.28 2799.24 o
-8 3 1 6082.44 3.13 6679.68 o
-7 3 1 1006.16 9.18 567.01 o
-6 3 1 19686.90 2.62 19886.38 o
-5 3 1 12036.28 2.19 10203.47 o
-4 3 1 82995.85 6.97 73696.12 o
-3 3 1 229.52 28.84 330.69 o
-2 3 1 872.61 9.36 470.23 o
-1 3 1 37636.00 2.99 37103.67 o
0 3 1 44673.05 3.72 50754.41 o
1 3 1 3354.73 6.81 1804.32 o
2 3 1 45356.22 3.84 44700.82 o
3 3 1 30143.90 3.69 25873.03 o
4 3 1 25328.72 2.59 25564.89 o
5 3 1 2443.32 1.82 1567.77 o
6 3 1 2049.37 3.03 1562.35 o
7 3 1 2767.81 3.84 2648.83 o
8 3 1 3216.02 3.53 3197.32 o
9 3 1 1833.55 8.76 1678.34 o
10 3 1 1282.36 12.46 1103.12 o
11 3 1 305.90 28.52 361.32 o
12 3 1 3222.83 7.73 3205.09 o
-12 4 1 413.72 73.79 325.72 o
-11 4 1 283.59 40.20 385.18 o
-10 4 1 861.42 11.97 776.22 o
-9 4 1 165.64 24.50 335.70 o
-8 4 1 8915.14 2.40 8167.77 o
-7 4 1 130.42 29.92 328.20 o
-6 4 1 6263.14 1.99 7008.93 o
-5 4 1 1596.00 9.36 1288.06 o
-4 4 1 11382.76 2.96 11874.98 o
-3 4 1 2460.16 3.96 2441.16 o
-2 4 1 49773.61 3.96 51126.13 o
-1 4 1 2484.03 6.20 1633.66 o
0 4 1 31435.29 28.09 29313.87 o
1 4 1 33782.44 23.14 29384.41 o
2 4 1 38990.45 3.88 39167.20 o
3 4 1 11372.09 2.66 10794.03 o
4 4 1 52321.99 5.34 55336.75 o
5 4 1 5801.87 2.79 5822.93 o
6 4 1 2678.06 2.96 2537.02 o
7 4 1 2768.86 4.33 2806.51 o
8 4 1 473.93 9.42 335.70 o
9 4 1 135.49 31.25 131.33 o
10 4 1 4992.84 3.57 4937.78 o
11 4 1 5286.74 6.25 4624.66 o
-11 5 1 3271.84 12.74 3051.57 o
-10 5 1 3552.16 9.06 4046.61 o
-9 5 1 78.68 23.43 190.25 o
-8 5 1 2534.12 9.55 3104.87 o
-7 5 1 4079.38 6.71 4285.77 o
-6 5 1 22431.05 5.34 22853.94 o
-5 5 1 222.31 36.97 407.03 o
-4 5 1 27695.62 4.33 31248.11 o
-3 5 1 3192.25 5.43 3458.55 o
-2 5 1 5129.42 1.23 4680.82 o
-1 5 1 14094.44 7.67 11725.90 o
0 5 1 917.48 10.96 1700.91 o
1 5 1 4671.72 5.48 5103.09 o
2 5 1 77835.42 7.40 82711.78 o
3 5 1 33657.57 4.80 35250.42 o
4 5 1 177.69 32.95 180.90 o
5 5 1 885.06 12.53 550.79 o
6 5 1 14222.95 3.92 15037.69 o
7 5 1 2004.35 9.18 1874.95 o
8 5 1 1481.48 10.43 1075.94 o
9 5 1 16.16 429.32 22.42 o
10 5 1 1085.04 12.46 949.35 o
11 5 1 581.77 37.58 325.72 o
-11 6 1 2390.23 37.45 1683.97 o
-10 6 1 2411.79 11.97 2057.48 o
-9 6 1 3760.14 13.99 4330.81 o
-8 6 1 332.70 41.22 168.21 o
-7 6 1 977.19 21.34 1018.21 o
-6 6 1 1572.92 10.89 1476.75 o
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-2 6 1 25724.95 3.31 27282.50 o
-1 6 1 239.01 8.70 120.55 o
0 6 1 14513.02 4.58 12804.82 o
1 6 1 15893.64 10.30 16945.98 o
2 6 1 12463.49 3.35 12206.29 o
3 6 1 393.63 23.72 432.33 o
4 6 1 56306.54 9.61 55660.08 o
5 6 1 16933.82 4.28 16928.12 o
6 6 1 4316.49 5.06 4633.99 o
7 6 1 264.39 34.69 306.21 o
8 6 1 258.89 43.56 485.22 o
9 6 1 193.77 67.90 123.58 o
10 6 1 1783.37 10.89 1804.32 o
-10 7 1 467.42 50.69 617.09 o
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-1 7 1 4266.70 5.02 5162.09 o
0 7 1 1020.16 12.39 776.22 o
1 7 1 2302.08 5.29 2026.47 o
2 7 1 2845.16 3.65 2864.98 o
3 7 1 39168.37 14.14 40261.21 o
4 7 1 3242.16 20.43 3515.28 o
5 7 1 18006.96 6.25 18293.86 o
6 7 1 248.69 53.88 122.06 o
7 7 1 508.05 22.85 593.46 o
8 7 1 1280.21 13.25 1000.77 o
9 7 1 1508.55 13.10 1556.93 o
-9 8 1 -106.92 400.00 19.29 o
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-5 8 1 6018.66 10.56 5261.17 o
-4 8 1 327.97 49.98 470.23 o
-3 8 1 14137.21 10.50 14836.41 o
-2 8 1 4946.31 1.96 4439.87 o
-1 8 1 1961.60 3.88 1898.80 o
0 8 1 267.32 36.48 82.05 o
1 8 1 5263.50 3.24 5482.45 o
2 8 1 2181.82 3.84 2627.68 o
3 8 1 8282.82 4.67 8954.90 o
4 8 1 1252.45 20.79 1383.35 o
5 8 1 209.09 178.49 128.20 o
6 8 1 243.36 67.40 43.40 o
7 8 1 7.95 1386.82 338.22 o
8 8 1 -104.65 336.72 25.09 o
-7 9 1 315.06 60.06 379.81 o
-6 9 1 75.52 195.72 49.96 o
-5 9 1 449.02 70.90 390.59 o
-4 9 1 -107.95 226.50 38.14 o
-3 9 1 711.82 43.43 525.32 o
-2 9 1 179.29 87.98 12.73 o
-1 9 1 5139.46 7.56 4587.40 o
0 9 1 2678.06 5.66 2235.48 o
1 9 1 3299.35 6.45 3688.24 o
2 9 1 27.46 320.05 0.30 o
3 9 1 4876.23 9.49 4596.70 o
4 9 1 274.90 71.06 440.94 o
5 9 1 8222.86 14.90 8607.67 o
6 9 1 679.12 34.22 627.36 o
7 9 1 112.78 126.11 68.95 o
-5 10 1 2992.09 105.27 2770.27 o
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-3 10 1 2609.17 11.83 2400.65 o
-2 10 1 4352.04 11.42 4476.53 o
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0 10 1 -36.12 449.86 36.47 o
1 10 1 8486.09 7.90 8442.93 o
2 10 1 473.06 55.65 528.47 o
3 10 1 2355.16 16.16 1910.78 o
4 10 1 327.61 79.74 294.31 o
5 10 1 114.06 180.10 46.15 o
-1 11 1 363.28 71.74 246.95 o
0 11 1 979.06 33.52 662.21 o
1 11 1 182.52 117.94 6.10 o
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2 0 2 113380.36 8.58 106113.47 o
4 0 2 113.00 22.09 190.25 o
6 0 2 13968.88 2.28 16064.45 o
8 0 2 101748.24 10.43 106740.30 o
10 0 2 9512.10 4.04 9887.10 o
12 0 2 58.52 265.69 100.38 o
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-12 1 2 391.25 51.41 583.47 o
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-7 1 2 29.27 199.09 4.24 o
-6 1 2 14268.30 2.56 14987.24 o
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-1 1 2 400397.87 37.95 410883.60 o
0 1 2 426827.02 40.96 429385.97 o
1 1 2 168469.20 12.46 156234.53 o
2 1 2 18588.60 1.74 18573.36 o
3 1 2 96553.13 7.24 96420.47 o
4 1 2 74556.30 6.40 76592.90 o
5 1 2 11605.75 1.61 9602.59 o
6 1 2 25405.17 2.69 26183.02 o
7 1 2 28213.92 3.57 29266.89 o
8 1 2 5762.33 4.28 5833.41 o
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10 1 2 1142.44 9.18 1210.45 o
11 1 2 425.18 31.92 560.49 o
12 1 2 40.45 244.30 100.38 o
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-11 2 2 849.14 21.62 764.79 o
-10 2 2 1543.70 8.82 1388.45 o
-9 2 2 311.88 21.62 325.72 o
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-5 2 2 112593.80 10.18 100555.08 o
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3 2 2 174.50 6.81 396.03 o
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8 2 2 29220.48 4.33 29738.36 o
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1 3 2 17803.56 2.19 20236.28 o
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8 3 2 384.16 13.25 580.16 o
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11 3 2 308.35 33.41 161.17 o
12 3 2 1009.97 14.36 992.10 o
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2 4 2 7938.81 2.56 6894.50 o
3 4 2 40719.20 6.00 39221.55 o
4 4 2 10578.12 2.69 9177.05 o
5 4 2 13335.63 2.82 13274.97 o
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7 4 2 -10.56 360.24 48.99 o
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