#------------------------------------------------------------------------------
#$Date: 2011-10-07 16:37:56 +0300 (Fri, 07 Oct 2011) $
#$Revision: 27934 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/17/2231700.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_2231700_Fobs
loop_
_publ_author_name
'Abou, Akoun'
'Djand\'e, Abdoulaye'
'Sessouma, Bintou'
'Saba, Adama'
'Kakou-Yao, Rita'
_publ_section_title
;
 2-Oxochromen-4-yl 4-(dimethylamino)benzoate
;
_journal_coeditor_code           TK2767
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2269
_journal_page_last               o2270
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             11-07-12
_audit_creation_method           CRYSTALS
_audit_update_record
;
2011-07-18 # Formatted by publCIF
;
_cell_angle_alpha                92.307(3)
_cell_angle_beta                 103.9350(10)
_cell_angle_gamma                109.852(2)
_cell_length_a                   7.4939(2)
_cell_length_b                   10.2361(3)
_cell_length_c                   10.6620(3)
_[local]_cod_data_source_file    tk2767Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
1 0 0 7579.50 0.00 375.80 x
3 0 0 455.80 559.57 11.10 o
4 0 0 2089.70 2212.40 46.10 o
5 0 0 976.50 870.82 27.60 o
6 0 0 1787.10 2007.13 66.30 o
7 0 0 1730.50 1828.20 48.30 o
8 0 0 145.10 161.92 20.00 o
-9 1 0 324.60 452.50 66.70 o
-8 1 0 260.30 218.53 19.20 o
-7 1 0 129.40 162.51 12.70 o
-6 1 0 399.70 396.66 15.20 o
-5 1 0 126.80 110.12 9.90 o
-4 1 0 1101.90 1426.43 27.80 o
-3 1 0 49099.70 51733.21 1356.70 o
0 1 0 21.80 0.00 8.50 x
3 1 0 23449.20 24049.25 566.80 o
4 1 0 5042.20 4190.22 132.10 o
5 1 0 841.60 655.96 28.30 o
6 1 0 3.90 4.21 14.40 o
7 1 0 499.40 513.67 27.20 o
8 1 0 0.80 0.69 41.68 o
-9 2 0 49.60 10.40 71.90 o
-8 2 0 2010.30 2346.32 45.50 o
-7 2 0 33.70 13.56 8.80 o
-6 2 0 1325.40 1341.99 33.40 o
-5 2 0 8894.20 8748.87 164.60 o
-4 2 0 40710.50 41139.98 1072.70 o
-3 2 0 56150.50 59574.25 1544.50 o
0 2 0 30.20 23.72 5.70 o
1 2 0 30900.90 32439.24 992.90 o
2 2 0 37476.60 39010.49 1105.20 o
3 2 0 7693.40 7505.09 170.70 o
4 2 0 1470.20 1300.98 46.00 o
5 2 0 10605.10 9919.74 254.30 o
6 2 0 673.20 607.53 29.30 o
7 2 0 30.80 4.18 19.90 o
8 2 0 95.30 52.98 27.50 o
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0 3 0 -0.90 13.34 12.33 o
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3 3 0 12226.40 11964.62 274.90 o
4 3 0 4074.30 4004.52 87.70 o
5 3 0 1400.10 1411.92 37.20 o
6 3 0 339.00 338.94 30.20 o
7 3 0 117.60 70.50 25.30 o
8 3 0 177.40 306.63 49.60 o
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0 4 0 11.70 62.44 9.00 o
1 4 0 837.80 908.42 34.60 o
2 4 0 10045.20 8561.27 325.20 o
3 4 0 10027.10 9298.22 219.10 o
4 4 0 1006.70 1064.54 32.80 o
5 4 0 253.00 323.26 19.40 o
6 4 0 30.10 31.20 24.10 o
7 4 0 542.70 613.37 33.30 o
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-6 5 0 29067.70 29027.37 734.70 o
-5 5 0 1084.20 1109.83 40.80 o
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1 5 0 3944.60 3544.49 117.70 o
2 5 0 244.70 152.44 19.60 o
3 5 0 521.80 623.94 30.60 o
4 5 0 182.90 188.21 19.60 o
5 5 0 35.60 28.60 20.30 o
6 5 0 -17.80 0.49 29.60 o
7 5 0 526.30 608.78 64.60 o
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0 6 0 674.70 910.30 29.00 o
1 6 0 10139.90 9826.74 285.20 o
2 6 0 30.90 21.08 22.70 o
3 6 0 1185.70 1175.57 68.10 o
4 6 0 29.40 31.02 17.90 o
5 6 0 40.40 85.23 21.20 o
6 6 0 95.90 31.40 41.20 o
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0 7 0 864.50 747.61 30.00 o
1 7 0 3062.90 3169.54 99.10 o
2 7 0 644.00 717.18 36.00 o
3 7 0 375.80 454.02 33.00 o
4 7 0 771.20 764.29 40.10 o
5 7 0 61.90 41.93 30.60 o
6 7 0 19.90 24.81 68.40 o
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-1 8 0 -1.50 0.29 13.40 o
0 8 0 21.90 0.64 14.80 o
1 8 0 413.60 468.06 34.40 o
2 8 0 113.50 4.84 43.60 o
3 8 0 597.70 680.74 48.80 o
4 8 0 1227.20 1022.69 58.10 o
5 8 0 2115.40 2313.45 132.90 o
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0 9 0 694.00 729.60 33.10 o
1 9 0 35.10 18.28 15.60 o
2 9 0 1153.70 1236.85 63.70 o
3 9 0 346.80 449.86 71.20 o
4 9 0 2172.90 2592.86 79.80 o
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-1 10 0 371.30 391.58 25.30 o
0 10 0 1326.20 1402.15 50.00 o
1 10 0 380.00 437.32 34.80 o
2 10 0 23.70 25.83 26.20 o
3 10 0 132.40 105.80 71.30 o
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-6 11 0 624.10 712.79 38.10 o
-5 11 0 -13.30 16.58 17.40 o
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-3 11 0 136.00 245.67 25.00 o
-2 11 0 542.00 584.43 30.90 o
-1 11 0 397.40 477.37 30.20 o
0 11 0 82.60 107.79 25.70 o
1 11 0 47.30 56.32 27.60 o
2 11 0 41.70 0.17 34.60 o
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-5 12 0 73.50 113.94 26.90 o
-4 12 0 420.70 370.41 32.60 o
-3 12 0 -10.20 0.11 24.60 o
-2 12 0 1076.30 948.32 57.20 o
-1 12 0 25.20 27.32 31.30 o
0 12 0 45.20 0.36 58.70 o
1 12 0 -26.90 16.09 69.40 o
-5 13 0 24.90 50.25 23.10 o
-4 13 0 123.00 184.89 37.40 o
-3 13 0 7.20 54.78 47.70 o
-2 13 0 97.00 56.42 55.50 o
-1 13 0 -7.00 7.12 63.50 o
1 -13 1 112.90 1.48 70.20 o
2 -13 1 113.20 25.58 56.40 o
3 -13 1 10.90 32.12 47.30 o
4 -13 1 -28.70 7.25 31.80 o
5 -13 1 42.40 79.12 23.00 o
-1 -12 1 139.80 161.29 65.60 o
0 -12 1 23.50 5.87 34.00 o
1 -12 1 46.30 0.12 32.10 o
2 -12 1 -10.10 25.73 25.40 o
3 -12 1 12.40 29.99 27.10 o
4 -12 1 383.70 380.24 36.30 o
5 -12 1 75.40 83.31 28.20 o
6 -12 1 54.70 15.67 52.30 o
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-1 -11 1 244.70 292.48 35.60 o
0 -11 1 16.90 20.77 26.40 o
1 -11 1 931.70 962.42 43.20 o
2 -11 1 2747.80 3272.76 76.70 o
3 -11 1 32.90 29.57 22.00 o
4 -11 1 531.80 553.09 29.30 o
5 -11 1 17.30 6.00 15.90 o
6 -11 1 156.50 99.71 20.20 o
7 -11 1 118.80 152.28 57.50 o
-3 -10 1 96.20 31.97 68.00 o
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-1 -10 1 -36.70 2.35 23.40 o
0 -10 1 757.20 911.85 36.40 o
1 -10 1 2424.00 2825.96 73.40 o
2 -10 1 289.90 146.90 25.20 o
3 -10 1 2071.40 2054.23 62.40 o
4 -10 1 2308.00 2708.08 62.40 o
5 -10 1 561.60 651.81 26.60 o
6 -10 1 15.80 11.08 12.10 o
7 -10 1 225.30 204.62 58.80 o
8 -10 1 30.60 210.52 43.60 o
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0 -9 1 1311.00 1167.96 47.30 o
1 -9 1 250.90 319.47 20.80 o
2 -9 1 2.10 0.06 12.30 o
3 -9 1 1134.10 1632.11 40.90 o
4 -9 1 1564.30 1869.77 46.00 o
5 -9 1 834.20 864.83 27.70 o
6 -9 1 166.10 136.26 12.60 o
7 -9 1 81.40 90.05 32.90 o
8 -9 1 269.10 230.81 42.10 o
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0 -8 1 779.00 667.37 37.90 o
1 -8 1 1734.90 1768.95 51.50 o
2 -8 1 17.10 24.11 12.90 o
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4 -8 1 325.40 359.34 18.90 o
5 -8 1 96.80 105.19 11.00 o
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0 -7 1 233.60 254.68 24.10 o
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3 -7 1 3354.40 3173.59 79.80 o
4 -7 1 209.20 257.26 13.20 o
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6 -7 1 3185.00 3212.51 101.50 o
7 -7 1 440.90 462.53 36.40 o
8 -7 1 -28.40 1.95 26.70 o
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3 -6 1 120.80 101.84 9.70 o
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0 -5 1 13123.30 12817.15 346.00 o
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3 -5 1 291.40 230.96 11.80 o
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9 -5 1 113.00 162.06 40.40 o
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