#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/45/2224555.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_2224555_Fobs
loop_
_publ_author_name
'Bibila Mayaya Bisseyou, Yvon'
'Adjou, An\'e'
'Yapo, Yapi Marcellin'
'Bany, Guy Euloge'
'Kakou-Yao, R. C. A.'
_publ_section_title
;
 2-[2-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-4-yl]phenol
;
_journal_coeditor_code           BQ2181
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o87
_journal_page_last               o88
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             09-10-17
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 117.699(2)
_cell_angle_gamma                90
_cell_length_a                   27.5064(5)
_cell_length_b                   7.3811(2)
_cell_length_c                   19.5038(4)
_[local]_cod_data_source_file    bq2181Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
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_refln_F_squared_calc
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2 0 0 41.30 0.00 4.60 x
4 0 0 4550.00 0.00 204.00 x
10 0 0 57407.80 57614.88 1618.60 o
12 0 0 14464.70 14146.03 403.10 o
14 0 0 7906.30 7734.34 240.50 o
16 0 0 12474.70 11626.14 317.10 o
18 0 0 13.40 0.25 17.50 <
20 0 0 16.80 10.13 16.80 <
22 0 0 -25.60 2.51 22.70 <
24 0 0 94.50 120.62 19.70 o
26 0 0 197.70 285.94 25.60 o
28 0 0 7.30 3.38 25.50 <
30 0 0 24.30 21.51 29.00 <
32 0 0 45.40 25.84 58.70 <
1 1 0 -3.40 0.00 2.70 <
3 1 0 82.70 0.00 4.70 x
5 1 0 1285.60 1286.46 24.40 o
7 1 0 15114.70 15283.02 320.70 o
9 1 0 8461.40 8088.02 152.90 o
11 1 0 536.20 589.95 13.80 o
13 1 0 3414.10 3258.03 63.40 o
15 1 0 397.00 445.56 14.90 o
17 1 0 149.70 159.51 12.50 o
19 1 0 -2.80 3.89 9.70 <
21 1 0 157.20 222.92 13.00 o
23 1 0 31.40 51.22 11.00 <
25 1 0 44.60 34.07 14.20 o
27 1 0 27.60 19.69 21.80 <
29 1 0 58.60 4.75 23.20 <
31 1 0 21.30 122.16 19.90 <
0 2 0 2006.60 2095.67 100.40 o
2 2 0 3848.90 3924.56 84.80 o
4 2 0 4171.20 4378.75 74.80 o
6 2 0 723.90 787.66 14.80 o
8 2 0 1.20 16.71 5.40 <
10 2 0 1489.10 1431.28 29.80 o
12 2 0 341.20 330.94 10.90 o
14 2 0 15.30 22.55 5.80 <
16 2 0 -5.70 2.02 5.60 <
18 2 0 18.90 1.19 8.50 <
20 2 0 238.20 231.54 14.80 o
22 2 0 295.40 291.00 16.50 o
24 2 0 317.60 343.25 18.90 o
26 2 0 207.10 234.11 23.30 o
28 2 0 8.10 4.98 15.70 <
30 2 0 16.10 48.91 32.80 <
32 2 0 26.80 159.38 23.60 <
1 3 0 2569.50 2645.42 54.60 o
3 3 0 1122.60 1143.57 25.10 o
5 3 0 304.70 284.17 11.40 o
7 3 0 8.30 21.06 3.80 <
9 3 0 142.10 139.93 6.00 o
11 3 0 -14.00 8.43 8.60 <
13 3 0 2367.80 2259.40 59.70 o
15 3 0 2203.10 2346.94 55.10 o
17 3 0 365.10 415.93 21.60 o
19 3 0 205.60 192.03 19.40 o
21 3 0 8.90 9.51 15.00 <
23 3 0 2.00 0.00 19.00 <
25 3 0 46.50 77.31 29.60 <
27 3 0 -2.60 4.40 35.60 <
29 3 0 -9.60 47.51 41.40 <
31 3 0 -10.60 0.85 40.20 <
0 4 0 81.90 63.44 11.10 o
2 4 0 1272.00 1120.24 30.90 o
4 4 0 846.20 704.43 21.20 o
6 4 0 4832.20 4624.40 127.30 o
8 4 0 299.00 288.46 15.50 o
10 4 0 849.20 721.35 17.50 o
12 4 0 1105.20 1054.22 26.40 o
14 4 0 399.50 376.32 20.50 o
16 4 0 168.90 163.38 17.50 o
18 4 0 1554.40 1498.64 43.70 o
20 4 0 59.90 60.60 17.00 o
22 4 0 353.00 393.12 25.70 o
24 4 0 30.40 74.00 28.70 <
26 4 0 116.10 84.38 44.40 <
28 4 0 60.30 30.33 38.00 <
30 4 0 66.40 28.25 40.70 <
1 5 0 930.00 889.32 28.90 o
3 5 0 24.80 40.97 9.10 <
5 5 0 6.30 3.43 8.70 <
7 5 0 48.60 69.93 10.60 o
9 5 0 0.00 5.86 0.01 <
11 5 0 103.40 100.37 5.80 o
13 5 0 147.50 125.52 17.00 o
15 5 0 155.80 199.15 10.80 o
17 5 0 3378.20 3158.68 77.00 o
19 5 0 2532.50 2581.78 58.80 o
21 5 0 27.20 33.87 15.60 <
23 5 0 380.30 375.19 39.50 o
25 5 0 102.20 110.24 35.30 <
27 5 0 -8.60 16.60 35.30 <
0 6 0 776.50 697.20 44.70 o
2 6 0 18.00 15.54 12.90 <
4 6 0 788.10 799.24 31.20 o
6 6 0 474.70 432.67 22.50 o
8 6 0 3.60 1.13 11.20 <
10 6 0 164.60 128.99 15.80 o
12 6 0 140.80 121.52 18.00 o
14 6 0 81.70 70.87 17.20 o
16 6 0 886.70 869.53 39.30 o
18 6 0 -0.60 22.53 45.70 <
20 6 0 35.40 15.91 39.10 <
22 6 0 616.10 574.22 53.90 o
24 6 0 415.40 402.37 52.50 o
26 6 0 12.30 30.17 46.80 <
1 7 0 210.30 232.60 8.80 o
3 7 0 226.70 307.48 22.00 o
5 7 0 98.50 105.45 18.90 o
7 7 0 68.70 62.05 21.10 o
9 7 0 24.80 46.88 19.30 <
11 7 0 198.90 184.07 14.80 o
13 7 0 -32.70 24.84 28.40 <
15 7 0 15.70 81.21 29.20 <
17 7 0 77.20 33.13 39.10 <
19 7 0 386.00 370.97 49.40 o
21 7 0 47.30 37.74 39.40 <
23 7 0 366.90 363.51 55.00 o
0 8 0 98.30 154.06 40.70 <
2 8 0 61.40 75.93 23.50 <
4 8 0 30.00 79.36 26.00 <
6 8 0 19.60 1.25 23.20 <
8 8 0 34.80 35.29 27.30 <
10 8 0 47.30 33.52 29.60 <
12 8 0 22.50 8.65 42.70 <
14 8 0 7.90 1.24 33.20 <
16 8 0 74.30 107.69 36.50 <
18 8 0 73.70 53.86 46.40 <
20 8 0 11.50 1.18 38.70 <
1 9 0 13.00 81.11 26.80 <
3 9 0 40.50 0.63 44.00 <
5 9 0 0.40 0.30 43.26 <
7 9 0 12.30 3.54 30.70 <
9 9 0 16.30 3.66 40.60 <
11 9 0 381.50 378.84 42.10 o
13 9 0 16.50 18.46 54.00 <
0 10 0 18.10 563.48 49.90 <
-33 1 1 -13.40 101.41 22.60 <
-31 1 1 145.90 161.96 23.80 o
-29 1 1 128.80 156.43 21.10 o
-27 1 1 27.80 46.11 13.70 <
-25 1 1 178.20 203.23 16.10 o
-23 1 1 22.50 16.71 11.90 <
-21 1 1 188.20 207.65 14.10 o
-19 1 1 50.80 37.92 10.00 o
-17 1 1 571.30 575.41 27.60 o
-15 1 1 6865.70 6452.59 125.30 o
-13 1 1 1041.80 975.96 24.10 o
-11 1 1 528.40 439.43 14.40 o
-9 1 1 238.50 254.09 8.50 o
-7 1 1 7849.00 7918.55 159.10 o
-5 1 1 17589.20 17886.77 333.70 o
-1 1 1 219.40 0.00 8.50 x
1 1 1 3.00 0.00 2.50 <
3 1 1 15388.20 17111.42 337.30 o
5 1 1 921.80 1015.58 23.60 o
7 1 1 2474.00 2535.03 53.90 o
9 1 1 403.00 429.41 13.20 o
11 1 1 1890.80 1912.97 43.70 o
13 1 1 1120.50 1139.80 31.30 o
15 1 1 26.10 21.58 8.50 o
17 1 1 393.60 353.84 23.30 o
19 1 1 29.50 12.94 9.80 o
21 1 1 55.20 77.45 10.90 o
23 1 1 16.60 39.67 12.80 <
25 1 1 -10.90 2.06 13.90 <
27 1 1 9.50 0.25 19.90 <
29 1 1 -3.60 18.71 22.40 <
31 1 1 2.10 22.15 21.70 <
-32 2 1 123.70 29.36 44.70 <
-30 2 1 774.50 747.87 52.20 o
-28 2 1 510.10 492.12 33.30 o
-26 2 1 347.80 422.56 21.10 o
-24 2 1 31.30 30.02 12.90 <
-22 2 1 352.30 414.95 19.40 o
-20 2 1 29.50 18.48 9.50 o
-18 2 1 131.30 162.81 10.50 o
-16 2 1 468.20 449.58 18.00 o
-14 2 1 526.40 478.33 16.10 o
-12 2 1 1017.80 815.85 22.90 o
-10 2 1 221.70 179.63 10.90 o
-8 2 1 2583.60 2471.08 47.10 o
-6 2 1 6949.70 7137.48 141.00 o
-4 2 1 865.60 726.68 20.50 o
-2 2 1 23383.50 25587.66 452.10 o
0 2 1 452.50 665.55 14.20 o
2 2 1 133.30 206.91 5.30 o
4 2 1 1213.40 1419.56 25.10 o
6 2 1 536.00 535.12 16.10 o
8 2 1 360.40 305.95 12.60 o
10 2 1 1390.80 1422.95 28.20 o
12 2 1 367.30 321.23 12.00 o
14 2 1 554.70 601.09 15.80 o
16 2 1 1751.60 1661.91 38.30 o
18 2 1 1305.50 1402.53 32.00 o
20 2 1 45.40 41.87 9.70 o
22 2 1 315.30 367.30 18.60 o
24 2 1 23.50 28.98 12.90 <
26 2 1 52.00 35.50 18.90 <
28 2 1 25.30 7.01 20.70 <
30 2 1 -3.50 86.06 19.50 <
-31 3 1 10.20 72.69 33.10 <
-29 3 1 6.10 18.44 35.20 <
-27 3 1 74.80 79.42 24.30 o
-25 3 1 12.70 4.32 18.80 <
-23 3 1 1319.30 1478.80 43.40 o
-21 3 1 61.80 8.89 18.50 o
-19 3 1 2022.50 2059.28 51.80 o
-17 3 1 2520.20 2382.06 61.80 o
-15 3 1 1487.40 1629.90 39.40 o
-13 3 1 18.90 14.83 9.60 <
-11 3 1 28.40 16.73 6.20 o
-9 3 1 2950.70 2774.84 61.40 o
-7 3 1 295.30 263.07 8.50 o
-5 3 1 961.60 960.52 23.00 o
-3 3 1 255.70 267.25 10.70 o
-1 3 1 5500.40 5602.04 123.60 o
1 3 1 6571.20 6667.28 127.60 o
3 3 1 2702.90 2431.11 52.20 o
5 3 1 496.00 458.39 15.70 o
7 3 1 2071.20 1743.85 39.70 o
9 3 1 3505.50 3553.40 69.00 o
11 3 1 478.50 483.21 17.80 o
13 3 1 690.90 638.51 24.20 o
15 3 1 5367.70 5343.09 114.40 o
17 3 1 324.00 369.93 20.10 o
19 3 1 652.60 838.65 28.00 o
21 3 1 61.00 83.17 17.30 o
23 3 1 -6.00 18.20 19.20 <
25 3 1 -4.80 24.76 29.60 <
27 3 1 34.00 27.12 40.70 <
29 3 1 -1.60 7.35 47.50 <
-30 4 1 136.50 134.69 43.00 o
-28 4 1 40.60 7.06 33.10 <
-26 4 1 57.50 0.00 36.30 <
-24 4 1 18.80 48.45 29.60 <
-22 4 1 293.80 340.61 25.30 o
-20 4 1 34.50 44.11 15.50 <
-18 4 1 -7.40 3.67 12.80 <
-16 4 1 813.70 824.86 30.70 o
-14 4 1 315.90 267.66 19.60 o
-12 4 1 3375.60 3488.92 56.60 o
-10 4 1 4722.00 4467.39 87.60 o
-8 4 1 369.10 270.74 15.80 o
-6 4 1 824.10 804.60 21.80 o
-4 4 1 2508.80 2265.97 64.00 o
-2 4 1 305.70 338.68 13.60 o
0 4 1 12109.00 11694.11 256.00 o
2 4 1 17.80 0.01 7.10 <
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6 4 1 4854.90 4677.25 106.20 o
8 4 1 2733.40 2628.75 55.20 o
10 4 1 139.00 121.02 8.90 o
12 4 1 774.20 770.36 22.10 o
14 4 1 821.30 895.87 26.20 o
16 4 1 4889.00 4776.84 106.10 o
18 4 1 62.90 46.82 16.80 o
20 4 1 39.10 31.54 24.40 <
22 4 1 -49.80 26.07 22.80 <
24 4 1 15.00 1.23 27.40 <
26 4 1 9.80 26.81 37.50 <
28 4 1 -7.70 6.59 47.50 <
-29 5 1 30.60 52.23 20.40 <
-27 5 1 -10.00 43.96 43.40 <
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-23 5 1 -7.90 25.72 17.30 <
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-19 5 1 127.60 119.98 13.70 o
-17 5 1 16.50 9.13 12.30 <
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-11 5 1 138.20 192.85 9.40 o
-9 5 1 26.40 26.38 11.40 <
-7 5 1 38.40 27.05 8.70 o
-5 5 1 84.50 100.20 10.60 o
-3 5 1 1265.00 1244.76 41.10 o
-1 5 1 2739.70 2609.57 70.10 o
1 5 1 2198.20 2254.93 51.90 o
3 5 1 1932.80 1960.62 46.40 o
5 5 1 96.00 87.23 13.00 o
7 5 1 250.30 188.32 16.00 o
9 5 1 406.40 398.59 13.40 o
11 5 1 1050.60 1114.70 31.60 o
13 5 1 792.10 766.43 30.10 o
15 5 1 100.60 115.26 10.40 o
17 5 1 5.30 6.88 13.20 <
19 5 1 2220.10 2363.84 58.50 o
21 5 1 50.00 62.73 18.40 <
23 5 1 -6.90 1.57 27.60 <
25 5 1 36.40 7.70 31.50 <
27 5 1 29.70 134.12 47.20 <
-26 6 1 118.00 132.65 41.90 <
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-22 6 1 22.20 43.78 27.70 <
-20 6 1 -3.50 0.89 31.10 <
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-16 6 1 75.40 72.60 20.10 o
-14 6 1 8.60 0.04 17.90 <
-12 6 1 430.50 543.86 15.20 o
-10 6 1 673.50 630.30 29.80 o
-8 6 1 272.90 332.23 19.40 o
-6 6 1 61.00 67.28 14.70 o
-4 6 1 10.40 7.18 10.70 <
-2 6 1 97.40 45.87 7.30 o
0 6 1 162.30 179.63 15.30 o
2 6 1 353.30 285.35 17.10 o
4 6 1 411.50 534.54 19.90 o
6 6 1 78.60 57.51 14.20 o
8 6 1 602.70 529.90 22.50 o
10 6 1 408.00 456.46 13.20 o
12 6 1 691.60 732.14 31.50 o
14 6 1 1269.10 1137.24 42.80 o
16 6 1 2984.30 3150.14 87.10 o
18 6 1 154.20 154.80 31.70 o
20 6 1 194.40 235.91 36.30 o
22 6 1 15.90 35.96 32.30 <
24 6 1 218.40 242.14 42.20 o
-23 7 1 36.20 160.38 42.60 <
-21 7 1 40.60 14.11 43.60 <
-19 7 1 -26.90 15.65 38.40 <
-17 7 1 42.70 83.78 35.80 <
-15 7 1 48.20 57.63 30.10 <
-13 7 1 232.70 230.38 13.00 o
-11 7 1 141.60 127.04 21.50 o
-9 7 1 3.70 19.19 18.80 <
-7 7 1 187.30 159.38 20.50 o
-5 7 1 299.20 310.21 25.40 o
-3 7 1 102.70 106.39 16.50 o
-1 7 1 182.70 184.83 10.30 o
1 7 1 0.40 10.14 19.35 <
3 7 1 1.90 3.52 13.50 <
5 7 1 27.30 20.45 17.40 <
7 7 1 -15.20 4.32 15.10 <
9 7 1 7.90 12.94 19.10 <
11 7 1 49.20 52.08 20.10 <
13 7 1 301.80 364.58 39.90 o
15 7 1 1104.10 1000.12 69.20 o
17 7 1 130.40 109.58 40.70 o
19 7 1 -17.00 3.81 38.90 <
21 7 1 -19.80 6.80 43.50 <
-20 8 1 17.60 70.73 36.80 <
-18 8 1 193.90 171.62 40.40 o
-16 8 1 98.00 72.53 43.30 <
-14 8 1 34.30 51.55 40.60 <
-12 8 1 -26.70 0.22 31.90 <
-10 8 1 75.90 2.20 30.40 <
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-6 8 1 42.20 59.98 26.70 <
-4 8 1 -17.50 11.51 19.90 <
-2 8 1 32.00 36.24 25.90 <
0 8 1 390.80 479.46 16.70 o
2 8 1 227.00 353.82 35.00 o
4 8 1 36.30 93.03 23.30 <
6 8 1 299.00 316.07 36.00 o
8 8 1 59.30 93.49 27.00 <
10 8 1 31.40 51.07 32.10 <
12 8 1 54.20 2.12 42.20 <
14 8 1 22.50 46.83 34.00 <
16 8 1 161.40 110.29 46.10 o
18 8 1 107.50 90.34 48.10 <
-15 9 1 4.90 0.27 34.30 <
-13 9 1 260.70 203.49 54.60 o
-11 9 1 21.20 36.60 44.90 <
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-5 9 1 -11.20 5.61 33.00 <
-3 9 1 -2.30 0.79 26.50 <
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1 9 1 28.70 59.14 30.30 <
3 9 1 14.60 0.05 56.50 <
5 9 1 37.60 67.54 27.80 <
7 9 1 6.20 29.89 31.50 <
9 9 1 -9.40 16.09 34.90 <
11 9 1 -10.80 35.53 45.90 <
13 9 1 17.80 8.83 46.20 <
-4 10 1 -56.50 9.83 49.50 <
-2 10 1 17.80 40.14 17.90 <
0 10 1 45.10 412.84 31.70 <
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-32 0 2 7.30 2.15 32.30 <
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-28 0 2 36.80 56.87 23.00 <
-26 0 2 7.30 1.11 14.20 <
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-22 0 2 11805.90 11284.61 282.50 o
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-18 0 2 1313.50 1155.99 42.60 o
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2 0 2 -4.50 0.00 5.30 <
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16 0 2 490.40 456.06 29.20 o
18 0 2 284.90 266.80 23.30 o
20 0 2 1734.80 1794.16 70.60 o
22 0 2 26.10 0.92 28.50 <
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-1 1 2 0.10 0.00 1.39 <
1 1 2 13764.20 0.00 780.60 x
3 1 2 28.80 0.60 5.60 o
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7 1 2 199.40 113.92 10.30 o
9 1 2 430.50 496.44 15.60 o
11 1 2 -9.90 12.06 6.50 <
13 1 2 37.10 27.79 8.50 o
15 1 2 969.30 934.87 28.90 o
17 1 2 128.90 155.74 15.50 o
19 1 2 880.90 881.87 36.00 o
21 1 2 274.50 283.90 23.80 o
23 1 2 38.70 53.57 15.00 <
25 1 2 105.40 105.55 21.30 o
27 1 2 16.80 23.32 21.20 <
29 1 2 59.50 162.64 24.00 <
31 1 2 61.40 324.19 30.30 <
-32 2 2 34.80 30.20 32.80 <
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-16 2 2 220.10 220.38 11.80 o
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-12 2 2 374.10 344.37 11.20 o
-10 2 2 691.40 659.79 16.60 o
-8 2 2 19162.00 19619.53 334.20 o
-6 2 2 15622.10 16051.00 314.20 o
-4 2 2 2.80 6.09 4.00 <
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14 2 2 264.50 215.54 11.50 o
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18 2 2 100.90 71.70 11.10 o
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