#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2207736.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_2207736_Fobs
loop_
_publ_author_name
'Watkin, David J.'
'Watterson, Mark'
'Tranter, George E.'
'Edwards, Alison A.'
'Fleet, George W. J.'
_publ_section_title
;
Isopropyl
2,5-anhydro-6-azido-3,6-dideoxy-D-xylo-hexonate
;
_journal_coeditor_code CF6481
_journal_issue 1
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first o363
_journal_page_last o365
_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 05-12-13
_audit_creation_method CRYSTALS
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 5.4778(7)
_cell_length_b 11.0701(13)
_cell_length_c 18.2529(15)
_[local]_cod_data_source_file cf64812sup2.hkl
_[local]_cod_data_source_block 2
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 0 209.27 290.36 6.72 o
4 0 0 166480.23 145094.64 681.59 o
6 0 0 3823.95 2982.79 110.80 o
1 1 0 8465.50 5832.70 65.28 o
2 1 0 12346.83 9547.83 114.66 o
3 1 0 54975.59 48413.82 318.07 o
4 1 0 2937.26 3050.90 72.80 o
5 1 0 7175.64 6085.53 169.20 o
6 1 0 167.54 228.75 16.75 o
0 2 0 170398.92 175430.02 930.96 o
1 2 0 924012.12 853479.69 2573.29 o
2 2 0 153830.56 143511.12 407.61 o
3 2 0 249711.11 231761.06 686.96 o
4 2 0 14534.65 14508.09 210.06 o
5 2 0 2319.70 1772.25 71.96 o
6 2 0 16201.59 16509.04 203.62 o
1 3 0 748.03 1426.90 19.10 o
2 3 0 120947.00 119275.08 382.90 o
3 3 0 24509.00 19972.43 223.89 o
4 3 0 18789.25 18827.23 242.67 o
5 3 0 6995.50 6800.70 164.72 o
6 3 0 286.61 399.24 16.61 o
0 4 0 111734.43 115319.60 319.11 o
1 4 0 276828.06 271775.06 1869.88 o
2 4 0 22717.80 22593.75 181.98 o
3 4 0 118.60 120.28 8.63 o
4 4 0 44170.79 41245.11 373.24 o
5 4 0 83534.48 84148.03 530.52 o
6 4 0 12.79 14.73 43.85 o
1 5 0 5075.28 6019.79 85.19 o
2 5 0 4879.78 4419.35 96.83 o
3 5 0 8672.37 10556.73 148.22 o
4 5 0 14411.98 15138.07 221.43 o
5 5 0 36.22 39.52 15.09 o
6 5 0 743.52 777.67 26.06 o
0 6 0 21546.82 21691.34 187.81 o
1 6 0 19180.86 20240.03 184.28 o
2 6 0 55586.96 63771.75 347.74 o
3 6 0 416.84 262.64 13.89 o
4 6 0 205.03 172.95 16.53 o
5 6 0 5273.50 4336.06 131.70 o
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1 7 0 26378.28 28313.07 243.09 o
2 7 0 151.41 72.24 10.27 o
3 7 0 11455.78 11672.31 195.43 o
4 7 0 161909.80 158496.38 744.37 o
5 7 0 9069.15 8993.47 155.21 o
0 8 0 16750.99 18584.94 210.56 o
1 8 0 13242.20 14138.52 193.79 o
2 8 0 1992.03 2097.31 62.81 o
3 8 0 222.66 270.64 13.29 o
4 8 0 1223.78 909.71 33.16 o
5 8 0 1489.87 1648.51 45.42 o
1 9 0 11646.83 12477.35 196.82 o
2 9 0 2648.10 3045.40 72.55 o
3 9 0 25561.84 27169.51 296.52 o
4 9 0 3474.64 3752.08 99.70 o
5 9 0 18279.90 18651.46 163.39 o
0 10 0 3196.01 2811.97 80.63 o
1 10 0 105.55 89.65 13.19 o
2 10 0 4057.03 3426.75 87.28 o
3 10 0 1044.54 1233.43 33.79 o
4 10 0 -12.98 1.41 31.53 o
1 11 0 17270.46 16956.96 238.82 o
2 11 0 3984.24 2675.57 116.86 o
3 11 0 13182.70 13667.95 176.98 o
4 11 0 5512.48 5265.92 85.11 o
0 12 0 206.37 90.70 12.43 o
1 12 0 1025.43 842.37 35.20 o
2 12 0 3438.68 3673.95 92.18 o
3 12 0 1257.36 854.61 35.22 o
1 13 0 7938.42 8215.84 120.28 o
2 13 0 40.06 41.14 6.87 o
1 0 1 744347.38 650004.00 2018.43 o
2 0 1 91565.73 81111.24 295.91 o
3 0 1 11518.03 9693.35 144.80 o
4 0 1 16138.17 11819.84 217.67 o
5 0 1 662.53 426.23 24.41 o
6 0 1 2499.62 2055.90 66.62 o
0 1 1 112157.38 113124.66 593.77 o
1 1 1 45633.34 42790.04 146.06 o
2 1 1 141012.28 131626.59 384.23 o
3 1 1 34476.81 29111.46 253.98 o
4 1 1 2688.60 2164.47 67.85 o
5 1 1 180.82 141.49 17.39 o
6 1 1 13572.64 12839.49 191.64 o
0 2 1 825941.19 762413.88 2153.53 o
1 2 1 348479.28 326516.47 1600.31 o
2 2 1 124757.34 122965.50 364.45 o
3 2 1 71127.41 65548.02 367.17 o
4 2 1 73154.91 70296.30 464.22 o
5 2 1 57956.85 56445.14 455.35 o
6 2 1 9030.45 9387.96 160.77 o
0 3 1 82625.49 85041.60 236.50 o
1 3 1 141730.03 148032.70 334.17 o
2 3 1 9693.15 9049.33 110.70 o
3 3 1 48213.64 46528.06 310.18 o
4 3 1 2880.28 2477.28 70.97 o
5 3 1 39806.48 37989.37 374.93 o
6 3 1 1338.40 1445.01 43.64 o
0 4 1 315.47 171.45 10.30 o
1 4 1 161217.33 160323.45 410.55 o
2 4 1 163979.22 160137.92 484.76 o
3 4 1 45197.74 46373.11 314.29 o
4 4 1 6981.82 6502.23 151.84 o
5 4 1 8682.79 8079.24 180.89 o
6 4 1 5573.21 6863.93 116.91 o
0 5 1 391.64 471.94 11.23 o
1 5 1 10784.95 11620.45 122.03 o
2 5 1 104911.68 99967.55 430.63 o
3 5 1 1950.55 2165.13 53.37 o
4 5 1 12319.01 12153.08 204.01 o
5 5 1 26683.31 28216.70 294.35 o
6 5 1 6351.42 7569.03 111.64 o
0 6 1 70178.78 72899.36 338.54 o
1 6 1 72634.88 75280.80 357.54 o
2 6 1 13605.66 14620.66 174.92 o
3 6 1 2529.82 2160.98 63.80 o
4 6 1 32476.95 33373.42 335.70 o
5 6 1 1560.13 1617.98 57.38 o
6 6 1 514.91 656.68 16.46 o
0 7 1 11237.96 12444.73 155.97 o
1 7 1 12047.82 13085.75 164.95 o
2 7 1 13285.88 11665.34 189.80 o
3 7 1 16265.62 19309.32 231.97 o
4 7 1 17497.45 16285.95 249.64 o
5 7 1 2415.93 2795.92 62.18 o
0 8 1 1605.89 1539.66 50.50 o
1 8 1 6571.18 7668.01 139.64 o
2 8 1 6224.72 6404.60 146.15 o
3 8 1 2929.96 2957.89 76.06 o
4 8 1 3252.18 3145.29 77.72 o
5 8 1 1324.49 1462.27 41.50 o
0 9 1 34225.01 40944.79 325.50 o
1 9 1 70400.45 70182.39 476.79 o
2 9 1 12420.85 11176.71 210.19 o
3 9 1 69450.55 70468.78 483.38 o
4 9 1 12431.49 11561.01 187.68 o
5 9 1 2425.89 2756.13 62.88 o
0 10 1 7194.05 7433.30 156.46 o
1 10 1 32897.74 33561.24 335.72 o
2 10 1 11038.91 10795.42 199.07 o
3 10 1 376.72 274.68 13.95 o
4 10 1 1469.37 1109.17 44.08 o
0 11 1 2303.03 2425.17 66.49 o
1 11 1 23994.04 23771.72 277.89 o
2 11 1 5968.87 5798.62 137.79 o
3 11 1 8635.54 8819.39 143.68 o
4 11 1 3348.92 2910.19 68.75 o
0 12 1 17594.98 18818.75 219.32 o
1 12 1 2986.99 2360.91 64.99 o
2 12 1 1063.22 1086.90 31.74 o
3 12 1 1825.05 1513.53 39.98 o
0 13 1 8769.10 8997.20 128.38 o
1 13 1 864.41 778.16 25.65 o
2 13 1 3597.47 3535.77 71.29 o
0 0 2 312779.41 334755.53 1026.05 o
1 0 2 9516.14 9128.26 67.70 o
2 0 2 762465.50 630909.88 3044.91 o
3 0 2 131388.42 107655.04 481.75 o
4 0 2 9688.57 10371.43 171.77 o
5 0 2 8203.34 7975.15 181.37 o
6 0 2 1610.57 1335.59 41.55 o
0 1 2 23522.35 21936.73 88.18 o
1 1 2 200023.14 180518.06 1169.16 o
2 1 2 437215.00 397679.12 2412.75 o
3 1 2 105719.48 87045.20 449.77 o
4 1 2 6663.19 6646.76 146.60 o
5 1 2 2162.21 1140.30 59.38 o
6 1 2 299.14 183.43 21.37 o
0 2 2 360077.19 380117.19 1522.74 o
1 2 2 331669.91 314899.16 1653.50 o
2 2 2 31119.82 29911.84 183.05 o
3 2 2 56449.64 48841.90 329.64 o
4 2 2 23235.02 20026.57 264.64 o
5 2 2 8583.45 6870.63 180.34 o
6 2 2 1959.91 2392.08 67.27 o
0 3 2 126886.19 132709.44 305.34 o
1 3 2 121268.35 125259.77 321.63 o
2 3 2 31799.29 29340.47 198.13 o
3 3 2 89669.30 92236.23 421.48 o
4 3 2 2232.20 2672.32 65.13 o
5 3 2 15256.84 15957.81 239.76 o
6 3 2 5319.48 5275.28 125.38 o
0 4 2 3586.43 3312.94 62.09 o
1 4 2 412424.06 394591.25 2374.91 o
2 4 2 97282.58 93453.19 380.88 o
3 4 2 33569.51 31797.62 270.32 o
4 4 2 22887.24 20682.14 268.30 o
5 4 2 7049.51 7741.56 166.47 o
6 4 2 1082.58 1244.83 30.62 o
0 5 2 40939.55 42368.64 230.76 o
1 5 2 10601.29 10368.10 125.63 o
2 5 2 67425.77 67558.06 349.44 o
3 5 2 34138.99 32967.76 293.88 o
4 5 2 17877.24 18892.17 247.11 o
5 5 2 8319.11 8325.36 168.99 o
6 5 2 1254.17 1642.52 45.06 o
0 6 2 133375.64 134015.81 470.88 o
1 6 2 2708.75 2771.42 75.19 o
2 6 2 67649.19 70894.67 385.05 o
3 6 2 14904.12 13911.60 209.01 o
4 6 2 15673.96 14768.11 235.75 o
5 6 2 3639.52 4003.11 78.12 o
6 6 2 4329.51 4935.83 81.30 o
0 7 2 31510.75 33480.94 259.41 o
1 7 2 34397.77 37351.31 281.20 o
2 7 2 34039.42 32097.97 300.25 o
3 7 2 43415.71 45598.70 374.54 o
4 7 2 23274.28 23886.81 282.46 o
5 7 2 8111.84 8768.35 146.99 o
0 8 2 15634.57 16024.51 202.98 o
1 8 2 16259.04 17044.34 212.87 o
2 8 2 28864.21 28523.01 299.20 o
3 8 2 10741.23 10181.97 197.51 o
4 8 2 13049.96 14194.23 206.21 o
5 8 2 3680.33 3484.21 89.98 o
0 9 2 27218.13 29642.25 292.35 o
1 9 2 3894.42 4133.09 83.19 o
2 9 2 4410.40 4276.92 124.33 o
3 9 2 16797.12 17102.27 240.73 o
4 9 2 5319.23 5121.07 125.90 o
5 9 2 3991.63 4606.42 77.26 o
0 10 2 262.88 201.40 15.84 o
1 10 2 5324.74 5116.19 138.35 o
2 10 2 4434.37 3818.82 130.24 o
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0 11 2 1660.26 1546.11 56.63 o
1 11 2 2791.83 2696.67 70.53 o
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2 12 2 370.52 364.81 13.58 o
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0 8 3 4220.45 3546.12 110.59 o
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