#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:25:08 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181019 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/99/2209999.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_2209999_Fobs
loop_
_publ_author_name
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Mahmood, Azad'
'Neuburger, Markus'
'Schaffner, Silvia'
_publ_section_title
;
 2,3,5-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-\b-<small>D</small>-ribofuranose
;
_journal_coeditor_code           SG2041
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3151
_journal_page_last               o3153
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             06-06-06
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3407(5)
_cell_length_b                   13.5532(14)
_cell_length_c                   15.4384(9)
_cod_data_source_file            sg2041Isup2.hkl
_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
2 0 0 16885.24 19021.12 435.21 o
4 0 0 1104.63 1017.18 34.66 o
6 0 0 611.96 604.20 25.88 o
8 0 0 414.78 514.36 26.53 o
1 1 0 0.92 0.00 2.72 <
2 1 0 22819.93 24615.93 592.74 o
3 1 0 2672.87 2549.74 71.10 o
4 1 0 4.38 37.86 8.07 <
5 1 0 931.39 922.21 30.97 o
6 1 0 2092.22 1994.35 61.85 o
7 1 0 4175.91 4067.81 118.18 o
8 1 0 -9.80 7.38 20.37 <
9 1 0 528.57 491.88 38.53 o
0 2 0 1.84 0.00 2.31 <
1 2 0 1011.77 1436.03 28.37 o
2 2 0 4018.37 4278.30 104.38 o
3 2 0 244.53 179.27 12.85 o
4 2 0 2464.15 2184.50 67.73 o
5 2 0 4973.99 5080.61 133.30 o
6 2 0 -7.19 1.03 14.69 <
7 2 0 140.91 179.20 20.23 o
8 2 0 1217.90 1197.45 45.10 o
9 2 0 -51.37 0.97 33.24 <
1 3 0 19406.08 20131.97 495.38 o
2 3 0 202.00 165.20 9.97 o
3 3 0 498.07 420.75 18.14 o
4 3 0 284.69 352.78 15.11 o
5 3 0 463.97 449.00 20.49 o
6 3 0 1304.05 1369.14 41.87 o
7 3 0 4.97 7.82 16.71 <
8 3 0 123.33 122.94 23.46 o
9 3 0 -31.11 0.07 33.80 <
0 4 0 10548.74 11438.91 270.69 o
1 4 0 3835.04 3671.72 100.40 o
2 4 0 318.48 374.47 13.69 o
3 4 0 7534.86 7290.68 197.96 o
4 4 0 239.69 269.89 14.66 o
5 4 0 224.65 198.23 16.32 o
6 4 0 152.26 180.45 16.89 o
7 4 0 -1.31 3.29 18.44 <
8 4 0 93.22 89.26 24.95 o
9 4 0 53.59 40.92 36.22 <
1 5 0 1610.34 1466.40 45.51 o
2 5 0 8200.09 8025.00 212.77 o
3 5 0 119.63 134.57 11.53 o
4 5 0 1889.20 1874.10 55.16 o
5 5 0 93.23 85.71 14.94 o
6 5 0 1138.25 1154.76 39.71 o
7 5 0 1063.48 1035.33 41.66 o
8 5 0 10.68 7.90 26.37 <
9 5 0 35.27 25.68 33.03 <
0 6 0 16434.64 14822.31 421.83 o
1 6 0 952.46 840.98 30.17 o
2 6 0 345.30 385.10 16.24 o
3 6 0 -3.95 3.08 12.08 <
4 6 0 231.93 289.23 17.52 o
5 6 0 1304.41 1453.89 43.10 o
6 6 0 187.83 154.12 20.87 o
7 6 0 273.55 333.47 25.91 o
8 6 0 0.53 0.27 27.62 <
9 6 0 591.62 556.83 46.79 o
1 7 0 2248.68 2237.10 63.52 o
2 7 0 5157.29 4838.16 137.13 o
3 7 0 1511.15 1422.98 46.72 o
4 7 0 1887.63 1893.53 57.91 o
5 7 0 3388.10 3355.16 96.01 o
6 7 0 2.91 0.40 18.45 <
7 7 0 2.88 6.02 24.01 <
8 7 0 162.81 172.60 31.33 o
9 7 0 -8.49 21.40 44.20 <
0 8 0 17.25 31.42 11.95 <
1 8 0 3641.33 3489.13 99.49 o
2 8 0 1562.99 1773.79 48.26 o
3 8 0 53.09 54.97 14.33 o
4 8 0 2038.87 2096.17 62.52 o
5 8 0 80.37 99.93 19.03 o
6 8 0 212.14 217.79 24.05 o
7 8 0 80.27 102.52 28.85 <
8 8 0 218.70 223.87 33.26 o
1 9 0 -2.71 29.52 14.01 <
2 9 0 1150.21 1104.24 40.14 o
3 9 0 4382.00 4384.90 120.71 o
4 9 0 860.40 877.96 35.11 o
5 9 0 1245.72 1210.21 46.18 o
6 9 0 135.09 128.20 26.42 o
7 9 0 42.81 42.58 27.98 <
8 9 0 28.77 7.47 39.12 <
0 10 0 520.50 605.73 25.82 o
1 10 0 394.97 462.49 23.60 o
2 10 0 5018.59 5006.21 137.52 o
3 10 0 432.92 437.54 23.96 o
4 10 0 1724.40 1807.06 57.91 o
5 10 0 382.89 345.47 28.40 o
6 10 0 136.28 143.44 26.30 o
7 10 0 28.36 62.21 30.93 <
8 10 0 31.71 3.54 35.60 <
1 11 0 4286.85 4203.12 119.83 o
2 11 0 1437.67 1477.81 49.53 o
3 11 0 46.62 43.64 20.75 <
4 11 0 75.89 80.05 22.26 o
5 11 0 167.34 181.51 27.20 o
6 11 0 287.83 296.57 35.36 o
7 11 0 154.33 129.32 37.74 o
0 12 0 85.34 74.93 19.21 o
1 12 0 381.69 409.01 24.58 o
2 12 0 610.80 598.68 33.59 o
3 12 0 381.75 395.08 28.37 o
4 12 0 138.15 165.94 26.13 o
5 12 0 36.74 32.42 28.80 <
6 12 0 52.85 46.48 31.04 <
7 12 0 558.43 435.08 51.45 o
1 13 0 1.82 16.49 20.78 <
2 13 0 215.86 194.55 25.56 o
3 13 0 111.85 106.15 25.88 o
4 13 0 -5.65 13.24 27.54 <
5 13 0 352.72 391.36 34.57 o
6 13 0 192.62 182.85 40.06 o
0 14 0 499.01 539.06 32.44 o
1 14 0 57.84 111.11 25.96 <
2 14 0 266.09 270.53 30.45 o
3 14 0 497.66 502.55 34.60 o
4 14 0 5.05 0.07 33.72 <
5 14 0 133.53 117.53 34.54 o
6 14 0 8.10 0.11 55.44 <
1 15 0 1133.99 1058.20 50.64 o
2 15 0 -5.28 0.79 31.11 <
3 15 0 379.75 361.14 38.78 o
4 15 0 27.10 39.34 34.95 <
5 15 0 20.68 3.52 42.09 <
0 16 0 9.66 0.14 31.75 <
1 16 0 34.18 9.80 31.98 <
2 16 0 -3.69 2.87 35.08 <
3 16 0 17.87 32.85 35.78 <
4 16 0 -19.53 20.19 37.16 <
1 17 0 105.15 109.83 37.35 <
2 17 0 224.13 169.69 40.88 o
3 17 0 -0.30 7.45 45.24 <
0 18 0 178.46 173.07 45.17 o
1 18 0 129.37 116.17 49.41 <
1 0 1 0.00 0.00 2.40 <
2 0 1 17856.36 20156.55 460.61 o
3 0 1 314.96 321.36 12.28 o
4 0 1 5075.69 4867.54 133.17 o
5 0 1 86.28 126.92 11.30 o
6 0 1 110.87 128.61 15.45 o
7 0 1 47.80 48.58 17.37 <
8 0 1 4.53 3.03 19.62 <
9 0 1 18.64 32.31 25.84 <
-9 1 1 287.15 269.41 32.86 o
-8 1 1 407.17 412.18 27.54 o
-7 1 1 1688.74 1747.48 54.57 o
-6 1 1 90.18 75.03 15.03 o
-5 1 1 887.15 926.40 30.19 o
-4 1 1 1577.01 1546.20 45.37 o
-3 1 1 272.30 260.79 12.73 o
-2 1 1 4233.95 4434.56 111.50 o
-1 1 1 1931.99 0.00 50.78 x
1 1 1 1568.50 0.00 41.68 x
2 1 1 4358.76 4483.44 114.04 o
3 1 1 260.44 252.51 11.16 o
4 1 1 1567.88 1562.72 44.85 o
5 1 1 885.92 901.05 29.84 o
6 1 1 87.00 71.05 15.37 o
7 1 1 1708.56 1792.38 53.94 o
8 1 1 398.28 407.48 27.83 o
9 1 1 282.50 263.88 31.74 o
-9 2 1 34.19 46.02 30.05 <
-8 2 1 166.24 180.38 23.09 o
-7 2 1 102.24 101.63 19.01 o
-6 2 1 88.15 130.29 15.06 o
-5 2 1 1271.86 1273.52 39.75 o
-4 2 1 3587.54 3619.61 96.26 o
-3 2 1 10667.48 10472.06 276.38 o
-2 2 1 2526.13 2372.56 66.85 o
-1 2 1 9654.51 10644.59 246.12 o
0 2 1 78.77 0.00 4.87 x
1 2 1 9462.44 10785.60 241.48 o
2 2 1 2556.93 2414.13 67.61 o
3 2 1 10784.36 10603.47 281.57 o
4 2 1 3547.02 3639.43 94.88 o
5 2 1 1248.26 1251.67 38.80 o
6 2 1 92.39 123.73 14.75 o
7 2 1 81.09 101.09 18.06 o
8 2 1 157.94 177.33 22.51 o
9 2 1 32.75 44.86 29.78 <
-9 3 1 2.11 0.26 29.15 <
-8 3 1 26.05 34.58 22.52 <
-7 3 1 217.59 228.84 21.57 o
-6 3 1 278.13 304.40 19.08 o
-5 3 1 383.15 435.80 18.97 o
-4 3 1 6078.05 5940.90 160.51 o
-3 3 1 5569.44 5302.58 145.44 o
-2 3 1 7215.42 7371.62 186.57 o
-1 3 1 28717.87 30385.97 735.18 o
0 3 1 4812.70 5103.51 123.65 o
1 3 1 29665.73 30492.93 756.50 o
2 3 1 7245.93 7479.53 187.83 o
3 3 1 5727.57 5336.64 149.35 o
4 3 1 6126.91 5867.34 161.62 o
5 3 1 407.41 456.77 19.37 o
6 3 1 277.57 305.67 18.93 o
7 3 1 227.50 235.39 20.54 o
8 3 1 8.04 33.87 23.68 <
9 3 1 15.63 0.18 37.46 <
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-8 4 1 192.84 178.68 26.22 o
-7 4 1 215.09 205.87 23.53 o
-6 4 1 680.29 714.24 27.70 o
-5 4 1 589.23 563.32 24.19 o
-4 4 1 409.90 535.95 18.55 o
-3 4 1 1490.46 1480.22 43.32 o
-2 4 1 4885.98 4910.36 128.01 o
-1 4 1 2450.08 2532.23 65.49 o
0 4 1 1274.87 1339.22 36.06 o
1 4 1 2491.23 2559.54 66.84 o
2 4 1 4790.30 4965.10 125.27 o
3 4 1 1441.15 1428.00 42.03 o
4 4 1 430.35 548.72 18.78 o
5 4 1 563.33 534.15 23.49 o
6 4 1 702.02 722.31 28.77 o
7 4 1 231.31 206.45 21.97 o
8 4 1 198.00 180.60 26.38 o
9 4 1 318.44 316.56 36.36 o
-9 5 1 1.12 18.54 34.45 <
-8 5 1 245.02 235.72 29.95 o
-7 5 1 107.79 90.50 21.18 o
-6 5 1 434.38 401.39 25.09 o
-5 5 1 139.18 106.66 16.06 o
-4 5 1 2505.84 2479.47 70.70 o
-3 5 1 12.69 13.42 9.04 <
-2 5 1 4969.40 4760.11 130.76 o
-1 5 1 3371.25 3247.55 89.51 o
0 5 1 855.85 865.17 26.47 o
1 5 1 3260.19 3140.86 86.96 o
2 5 1 4898.05 4647.59 129.09 o
3 5 1 8.57 14.72 9.56 <
4 5 1 2517.92 2453.09 71.02 o
5 5 1 142.03 108.91 16.50 o
6 5 1 449.66 402.83 24.04 o
7 5 1 98.99 89.98 23.29 o
8 5 1 235.03 237.39 28.72 o
9 5 1 17.84 19.34 36.61 <
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-8 6 1 145.94 152.14 29.49 o
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-6 6 1 1590.39 1628.08 51.79 o
-5 6 1 700.18 649.11 29.00 o
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0 6 1 313.61 549.19 14.49 o
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2 6 1 414.17 411.38 18.17 o
3 6 1 381.90 379.00 18.33 o
4 6 1 264.04 333.26 17.40 o
5 6 1 698.93 659.12 28.93 o
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7 6 1 648.60 685.94 32.25 o
8 6 1 164.04 146.98 28.41 o
9 6 1 426.74 330.80 46.61 o
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3 7 1 1229.42 1190.90 40.08 o
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5 7 1 199.43 202.21 19.51 o
6 7 1 44.68 58.22 18.96 <
7 7 1 43.85 38.56 23.08 <
8 7 1 94.68 132.53 28.32 o
9 7 1 27.54 6.81 40.53 <
-8 8 1 209.83 141.36 36.16 o
-7 8 1 39.99 44.25 27.09 <
-6 8 1 416.45 420.72 29.16 o
-5 8 1 1912.98 1961.66 61.40 o
-4 8 1 344.84 351.64 22.35 o
-3 8 1 16.94 25.05 13.85 <
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-1 8 1 7135.80 6765.27 189.30 o
0 8 1 4536.94 3952.32 121.78 o
1 8 1 7303.51 6741.55 191.76 o
2 8 1 4363.85 4090.76 118.68 o
3 8 1 22.21 27.96 14.56 <
4 8 1 339.26 342.64 20.89 o
5 8 1 1949.46 1983.97 61.16 o
6 8 1 450.50 413.18 31.55 o
7 8 1 44.22 42.45 25.09 <
8 8 1 142.37 142.56 34.71 o
-8 9 1 156.21 100.71 39.50 o
-7 9 1 -0.40 1.03 26.74 <
-6 9 1 1643.77 1678.46 59.24 o
-5 9 1 1560.59 1531.70 54.24 o
-4 9 1 504.67 536.72 27.53 o
-3 9 1 2653.75 2713.95 77.83 o
-2 9 1 570.96 587.66 25.71 o
-1 9 1 2794.04 2931.14 79.49 o
0 9 1 652.41 797.15 26.76 o
1 9 1 2760.92 2934.61 78.57 o
2 9 1 557.12 560.20 26.28 o
3 9 1 2603.50 2717.55 76.50 o
4 9 1 481.18 508.72 25.02 o
5 9 1 1534.26 1529.36 53.25 o
6 9 1 1695.48 1695.66 59.02 o
7 9 1 17.25 1.16 29.82 <
8 9 1 88.55 97.78 34.95 <
-8 10 1 83.66 56.68 39.60 <
-7 10 1 9.76 5.84 34.02 <
-6 10 1 109.18 134.56 28.32 o
-5 10 1 11.21 11.86 26.11 <
-4 10 1 321.01 329.99 26.55 o
-3 10 1 89.28 95.85 18.32 o
-2 10 1 17.57 11.33 15.85 <
-1 10 1 1113.79 1085.00 40.04 o
0 10 1 546.41 628.92 25.68 o
1 10 1 1081.86 1075.59 38.55 o
2 10 1 13.74 11.85 19.36 <
3 10 1 87.16 95.40 17.23 o
4 10 1 325.15 331.58 23.57 o
5 10 1 1.36 12.33 22.18 <
6 10 1 121.98 142.36 26.97 o
7 10 1 30.57 6.46 32.14 <
8 10 1 69.88 53.14 47.81 <
-7 11 1 83.94 100.06 37.12 <
-6 11 1 159.75 159.05 31.66 o
-5 11 1 -0.92 9.89 23.71 <
-4 11 1 202.72 205.15 25.56 o
-3 11 1 1984.82 1993.46 63.17 o
-2 11 1 541.27 564.07 28.27 o
-1 11 1 324.75 329.30 21.58 o
0 11 1 191.95 245.16 19.17 o
1 11 1 336.14 333.49 22.92 o
2 11 1 557.02 581.90 29.22 o
3 11 1 2020.58 1989.32 65.18 o
4 11 1 186.06 197.16 21.88 o
5 11 1 24.63 9.51 26.56 <
6 11 1 172.46 163.48 32.31 o
7 11 1 116.05 100.53 35.46 o
-7 12 1 -20.55 2.71 45.00 <
-6 12 1 17.00 3.59 31.81 <
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-4 12 1 501.82 514.73 33.63 o
-3 12 1 395.14 445.35 28.87 o
-2 12 1 148.03 166.93 21.17 o
-1 12 1 38.09 35.60 18.02 <
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1 12 1 27.71 37.94 19.37 <
2 12 1 164.14 175.77 23.85 o
3 12 1 403.63 439.29 29.18 o
4 12 1 477.20 514.32 31.58 o
5 12 1 72.16 86.18 29.56 <
6 12 1 2.60 4.48 32.78 <
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-3 13 1 32.19 45.19 23.60 <
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1 13 1 392.89 417.20 27.93 o
2 13 1 1048.10 1047.89 44.30 o
3 13 1 56.77 43.24 24.49 <
4 13 1 594.12 585.50 38.88 o
5 13 1 52.41 67.27 31.70 <
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-6 14 1 -40.61 7.39 53.68 <
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-4 14 1 0.86 4.82 30.66 <
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-2 14 1 244.99 258.23 28.25 o
-1 14 1 61.85 54.53 25.23 <
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1 14 1 50.39 53.13 26.02 <
2 14 1 245.35 258.36 30.41 o
3 14 1 415.64 402.77 34.53 o
4 14 1 10.05 4.49 30.70 <
5 14 1 650.73 633.73 45.37 o
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3 15 1 277.23 277.79 37.38 o
4 15 1 119.66 134.75 36.12 o
5 15 1 135.82 168.46 46.80 <
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2 16 1 221.81 204.12 35.46 o
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9 0 2 33.42 0.43 28.67 <
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-5 1 2 152.19 145.43 12.97 o
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0 1 2 5.69 0.00 2.76 <
1 1 2 2163.34 2869.48 56.97 o
2 1 2 22679.32 22927.29 585.35 o
3 1 2 2816.21 2871.67 75.22 o
4 1 2 9048.78 8655.84 239.19 o
5 1 2 152.64 148.29 13.26 o
6 1 2 548.45 542.17 24.20 o
7 1 2 278.07 263.25 21.19 o
8 1 2 94.56 76.87 22.90 o
9 1 2 28.11 50.80 28.75 <
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-8 2 2 129.10 139.38 22.31 o
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-6 2 2 2488.42 2478.34 72.44 o
-5 2 2 114.22 120.09 13.98 o
-4 2 2 465.67 408.52 19.32 o
-3 2 2 15901.80 15156.96 410.71 o
-2 2 2 53.78 86.98 9.52 o
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1 2 2 29439.46 31772.96 753.69 o
2 2 2 40.17 72.48 6.89 o
3 2 2 15192.24 15122.55 397.57 o
4 2 2 481.24 422.75 19.02 o
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6 2 2 2475.12 2473.66 71.41 o
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8 2 2 137.87 138.75 23.95 o
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