#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/26/2202645.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_2202645_Fobs
loop_
_publ_author_name
'Gainsford, Graeme J.'
'Tyler, Peter C.'
_publ_section_title
;
 <i>tert</i>-Butyl
 6-<i>O</i>-benzyl-2,2-dichloro-2,5-dideoxy-4-<i>O</i>-methyl-\a-<small>D</small>-<i>ribo</i>-oct-3-pyranulosonate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1514
_journal_page_last               o1516
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 94.490
_cell_angle_gamma                90.000
_cell_length_a                   14.8630
_cell_length_b                   18.0690
_cell_length_c                   8.3510
_exptl_crystal_F_000             952.00
_reflns_d_resolution_high        0.8489
_[local]_cod_data_source_file    fl6057IIIsup2.hkl
_[local]_cod_data_source_block   III
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' P351  P21   RElabelled July 2003'
_shelx_refln_list_code           3
_shelx_f_calc_maximum            155.01
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_meas
_refln_F_sigma
_refln_A_calc
_refln_B_calc
2 0 0 87.1828 0.5621 -88.9437 0.0000
3 0 0 22.0334 0.9423 22.6247 0.0000
4 0 0 59.8696 0.3255 -58.5894 0.0000
5 0 0 21.0817 1.1605 -20.6896 0.0000
6 0 0 124.3756 0.9680 127.2738 0.0000
7 0 0 101.3878 1.0650 99.8040 0.0000
8 0 0 2.2601 3.5659 -1.0617 0.0000
9 0 0 26.6654 1.6122 -28.0813 0.0000
10 0 0 10.3553 2.4297 6.1737 0.0000
11 0 0 21.0046 1.9144 22.3263 0.0000
12 0 0 13.1902 2.7911 -15.5355 0.0000
13 0 0 14.7044 2.6979 -16.3405 0.0000
14 0 0 8.7470 3.9882 -10.1325 0.0000
15 0 0 2.3585 3.3285 2.9474 0.0000
16 0 0 7.6201 5.0946 4.3259 0.0000
17 0 0 3.9779 5.6164 3.4544 0.0000
1 1 0 61.8010 0.5158 56.2766 39.0497
2 1 0 26.1850 0.7899 -4.8105 -24.5055
3 1 0 36.0761 0.8664 -26.0898 24.9627
4 1 0 102.9261 0.8443 -51.8012 85.4880
5 1 0 39.5974 1.0662 -25.3126 -28.1151
6 1 0 55.4818 1.0850 -27.5983 -48.1765
7 1 0 34.6231 1.3130 29.5288 -14.9009
8 1 0 34.2638 1.5024 27.4244 18.1278
9 1 0 31.5735 1.6256 -2.6898 32.1278
10 1 0 36.4202 1.5894 -26.9666 23.2169
11 1 0 21.8199 2.2885 -20.3697 7.8386
12 1 0 23.7381 2.0711 -10.3769 -21.9288
13 1 0 12.0562 3.4761 13.3227 5.4027
14 1 0 10.3052 4.4861 13.5454 7.9223
15 1 0 13.4773 3.2928 6.9703 11.4858
16 1 0 3.5754 5.0484 5.7768 4.0436
17 1 0 7.4640 5.4986 -1.3296 -5.6050
0 2 0 63.8193 0.5394 28.8474 57.1899
1 2 0 25.5513 0.7461 10.9081 21.4659
2 2 0 35.3059 0.7848 -35.2421 3.7003
3 2 0 36.4372 0.9150 32.3824 -11.9185
4 2 0 37.5492 1.0236 -12.8726 -33.6988
5 2 0 13.7815 1.6689 9.9340 8.3549
6 2 0 87.9250 1.0419 58.3010 62.4188
7 2 0 43.1883 1.2492 2.0369 -41.0410
8 2 0 27.7608 1.4985 10.0218 -24.3274
9 2 0 6.9766 4.9831 9.7386 -0.7138
10 2 0 17.5113 2.2169 17.9106 2.4314
11 2 0 22.0212 2.1695 10.2150 -17.9160
12 2 0 3.1520 4.6253 -3.7924 1.2474
13 2 0 27.9706 2.1743 -5.0339 27.7833
14 2 0 12.4152 3.5869 -2.1969 -9.4388
15 2 0 17.8117 3.1892 -13.2922 -9.8979
16 2 0 15.6561 3.0170 10.4039 13.0961
17 2 0 3.7970 5.5578 -1.8719 2.1496
1 3 0 124.6147 0.7401 -21.4367 120.2778
2 3 0 79.8517 0.8148 73.0779 28.6693
3 3 0 52.0092 0.9156 -51.5941 -3.1170
4 3 0 36.2265 1.0780 -1.9553 35.4412
5 3 0 41.1467 1.1442 6.6423 -40.8863
6 3 0 72.5077 1.1145 58.7578 -34.0026
7 3 0 85.2414 1.1752 -14.0528 80.6082
8 3 0 23.0405 1.7486 4.7202 21.5695
9 3 0 9.7340 3.9486 -4.7899 9.7456
10 3 0 35.7037 1.6472 -33.9119 14.2499
11 3 0 21.8014 2.4391 5.2939 -23.4576
12 3 0 33.0199 2.1177 26.1877 -21.5970
13 3 0 26.9091 2.2945 -17.6899 17.5248
14 3 0 22.6044 2.7110 -14.4934 19.3628
15 3 0 6.8544 4.8611 2.1967 -4.9135
16 3 0 9.7885 4.8097 -7.7560 -7.7165
17 3 0 12.9755 3.7949 -6.6182 5.6301
0 4 0 154.2724 0.7214 86.9484 -128.3318
1 4 0 97.5896 0.8067 65.8296 -75.3661
2 4 0 51.5401 0.8925 48.2900 -21.9955
3 4 0 45.5762 0.9788 43.8988 -15.5916
4 4 0 32.2159 1.1308 31.4453 -8.3726
5 4 0 22.1416 1.4605 -23.4193 0.5967
6 4 0 10.4419 2.8826 14.4369 -3.6303
7 4 0 46.8807 1.2709 30.0572 -35.6355
8 4 0 14.2177 2.6599 2.3517 -19.2220
9 4 0 26.6260 1.8464 28.5120 1.4018
10 4 0 9.7893 4.2889 11.1975 14.3715
11 4 0 27.3610 2.1466 -26.4416 -20.6529
12 4 0 3.8164 5.3680 -8.9191 -6.0433
13 4 0 7.4330 5.3066 11.0375 -6.6452
14 4 0 10.8461 3.4227 -13.7872 1.8311
15 4 0 4.1570 5.8496 3.5841 10.4771
16 4 0 10.9457 4.3506 10.0397 0.0930
17 4 0 9.7977 3.8284 -1.8817 -3.5272
1 5 0 51.8465 0.9512 -44.3839 -24.7076
2 5 0 21.7684 1.2480 16.8057 -15.4518
3 5 0 23.5572 1.2089 13.6866 19.7326
4 5 0 67.0927 1.0376 -69.9345 -15.9585
5 5 0 31.3841 1.2124 -30.7565 -0.2674
6 5 0 44.0872 1.2727 -0.6486 44.2349
7 5 0 40.8624 1.2825 -34.2891 25.4941
8 5 0 43.5411 1.3649 -43.4463 -4.1778
9 5 0 14.6325 2.4105 -2.0669 -12.2526
10 5 0 21.1169 2.1564 14.3820 17.8272
11 5 0 7.6822 4.4908 -3.1637 -9.3429
12 5 0 19.1794 2.3581 20.9228 -0.4427
13 5 0 17.3982 2.8346 14.8050 5.6889
14 5 0 21.6014 3.6479 -12.0236 16.9660
15 5 0 7.0621 6.2989 -4.9873 3.2940
16 5 0 11.6088 4.1818 10.4838 -6.2086
0 6 0 57.3753 0.2712 -19.6372 54.3117
1 6 0 39.5983 1.0583 30.1521 -23.4846
2 6 0 40.2177 1.1399 -19.0666 -36.0502
3 6 0 42.1269 1.1212 15.4535 38.6374
4 6 0 65.8762 1.1200 0.5102 66.3183
5 6 0 14.9242 1.9600 1.9084 -11.8217
6 6 0 15.1490 1.9818 5.9145 11.3660
7 6 0 4.9475 4.1790 5.4020 -1.2408
8 6 0 60.5024 1.4326 -12.9092 -57.5327
9 6 0 10.9030 3.0934 -6.4007 -6.6613
10 6 0 28.3891 1.9438 20.9227 20.8243
11 6 0 4.0566 5.8589 -5.8564 3.4271
12 6 0 10.5554 4.3798 9.5243 7.1187
13 6 0 17.9443 4.0344 17.7762 -4.6031
14 6 0 4.3053 6.1320 -10.0737 -2.4540
15 6 0 15.5873 3.2779 -10.6128 12.8187
16 6 0 3.7660 5.2550 7.3876 2.3621
1 7 0 4.8068 4.1985 0.5429 -6.6490
2 7 0 55.7988 1.3417 57.6124 -17.8265
3 7 0 44.7328 1.2405 17.6454 -40.2312
4 7 0 50.9843 1.2686 -43.9697 26.2160
5 7 0 46.6265 1.3358 -3.5181 46.8470
6 7 0 55.2807 1.3445 35.8465 -40.8650
7 7 0 25.8791 1.7536 19.4255 -17.6434
8 7 0 13.5075 2.5712 5.8420 12.4583
9 7 0 6.9308 5.0861 0.1054 -4.5400
10 7 0 6.5931 5.0050 1.1363 1.4975
11 7 0 24.1364 2.2671 -15.0484 15.8697
12 7 0 19.1865 4.6381 -2.7943 19.5825
13 7 0 5.5853 5.5676 5.6513 5.4526
14 7 0 20.1090 2.9553 -16.7783 -6.0204
15 7 0 17.5982 2.5525 -14.2562 -12.4357
16 7 0 15.3331 2.8892 2.8987 13.4923
0 8 0 40.5831 1.2171 -4.4045 -39.5189
1 8 0 6.6402 4.2424 -4.6688 -5.8224
2 8 0 32.0656 1.4490 -10.6527 -29.1559
3 8 0 29.2023 1.4853 8.3451 -26.5178
4 8 0 20.3000 1.8325 8.7377 17.5125
5 8 0 15.9577 2.6794 -14.2407 13.3057
6 8 0 24.7253 1.6544 -18.1347 16.2683
7 8 0 20.7293 2.1483 20.8637 -0.4569
8 8 0 59.3304 1.7353 -3.3225 -61.5624
9 8 0 33.5716 1.7081 -11.8379 -30.7167
10 8 0 8.5357 4.4848 -10.9044 -0.3461
11 8 0 8.8244 5.1427 -9.8557 -0.4619
12 8 0 8.5834 5.2962 -6.9417 5.5576
13 8 0 6.9965 6.2292 -0.8270 8.2374
14 8 0 14.4879 3.3029 8.0157 1.4039
15 8 0 17.9985 2.4357 0.3010 -14.3188
16 8 0 9.7152 5.8470 -9.4158 -0.9209
1 9 0 45.9887 1.5742 37.0704 28.1956
2 9 0 62.8077 1.5262 23.6234 63.2761
3 9 0 21.1819 1.8801 -4.6123 -20.4641
4 9 0 51.7155 1.4536 -48.9053 -18.4283
5 9 0 27.7539 1.6379 -16.2707 21.8225
6 9 0 9.6980 3.3664 -8.1216 1.8677
7 9 0 27.2720 1.9272 -5.3070 24.8301
8 9 0 33.3304 1.8015 2.5352 32.5764
9 9 0 21.1892 2.1854 6.9323 -19.6068
10 9 0 23.4415 2.4825 -20.4491 -13.7716
11 9 0 21.4579 2.6904 -11.8494 12.7891
12 9 0 19.0047 2.6356 18.6530 2.6927
13 9 0 14.4932 3.8874 13.2385 -8.5779
14 9 0 10.2121 4.1567 -3.6232 -7.5026
15 9 0 11.2430 4.0914 6.2985 -7.9499
0 10 0 48.6091 1.3941 -44.2108 -18.3119
1 10 0 21.8068 2.0705 -21.0038 -5.9464
2 10 0 4.0814 5.7603 6.8020 -0.4745
3 10 0 27.9873 1.8587 22.7510 11.6426
4 10 0 22.5339 1.8016 11.3545 16.9183
5 10 0 22.1270 1.9428 -16.1409 14.5886
6 10 0 20.7649 2.5832 -20.8022 0.1487
7 10 0 21.4180 2.3026 10.2015 -16.7275
8 10 0 37.4355 1.9070 28.1531 -20.2590
9 10 0 18.4737 2.6195 10.4864 15.0710
10 10 0 16.4084 2.8222 1.9421 16.9182
11 10 0 9.8522 5.4288 6.9763 -0.9712
12 10 0 11.6617 5.2615 7.5435 -9.9706
13 10 0 11.6057 3.9635 8.1683 -0.2443
14 10 0 13.8106 2.8948 3.5777 -10.4765
15 10 0 7.9464 5.5459 0.9577 -6.3829
1 11 0 21.9299 1.9005 17.5847 11.0141
2 11 0 7.4632 3.8160 6.6871 2.0995
3 11 0 23.2307 2.0698 -18.9696 3.1117
4 11 0 22.6772 2.1748 3.9338 -22.1534
5 11 0 23.6968 2.1333 9.8411 -20.1983
6 11 0 13.6956 2.8290 -6.8319 13.1028
7 11 0 3.9865 5.3578 -1.1075 2.9345
8 11 0 19.8241 2.7019 10.4792 -16.3418
9 11 0 31.3268 2.6682 24.8876 -17.7615
10 11 0 13.0689 4.3465 -11.9036 2.4631
11 11 0 16.9562 3.4775 -10.0856 11.0580
12 11 0 17.6968 3.1052 13.5736 5.4502
13 11 0 14.1887 2.8666 -0.9018 14.2130
14 11 0 12.9862 3.3104 -11.3563 0.6713
0 12 0 41.7527 1.8374 -31.3442 -25.8294
1 12 0 20.6364 2.1355 -8.2800 -14.3770
2 12 0 37.7134 1.8746 30.2154 21.5538
3 12 0 19.2537 2.4051 -9.7997 11.8836
4 12 0 14.0042 2.8383 -12.1457 -10.6812
5 12 0 3.3682 5.4186 1.6347 0.5041
6 12 0 14.9033 3.5163 -6.3800 -8.6443
7 12 0 14.8070 4.5921 -14.5019 -6.6775
8 12 0 17.0784 3.0052 -13.7768 9.6426
9 12 0 10.7070 4.7936 -8.3716 8.0762
10 12 0 21.8596 2.6445 -17.7746 2.2230
11 12 0 25.9272 2.5184 -22.6008 -2.3388
12 12 0 11.1599 7.8425 3.2403 -9.4313
13 12 0 18.4969 2.7164 13.0554 8.5184
14 12 0 10.7614 4.2458 -8.0955 1.8434
1 13 0 30.4275 2.2321 -26.8796 -7.1284
2 13 0 9.6105 5.0755 -2.8166 -4.0092
3 13 0 20.7703 3.0284 13.7072 11.6478
4 13 0 20.7037 2.5759 -7.0726 -17.3599
5 13 0 17.1036 2.9106 -0.1897 -11.7358
6 13 0 27.0757 2.4030 3.8284 27.5846
7 13 0 18.1494 3.4488 7.5885 11.1640
8 13 0 4.3816 6.2902 -1.0719 -8.1926
9 13 0 15.7724 2.7892 7.9630 8.3743
10 13 0 18.9589 2.8618 11.9099 2.9153
11 13 0 19.6433 2.6678 -20.3371 -3.5204
12 13 0 17.5653 2.5836 -12.8173 -7.5799
13 13 0 12.4882 3.6093 8.8782 -2.1549
0 14 0 26.0232 2.1413 -22.2777 -7.8764
1 14 0 16.1085 2.8029 -7.6786 -15.0274
2 14 0 3.4311 5.5430 0.3294 1.3117
3 14 0 40.5684 1.8910 -4.1918 38.0967
4 14 0 24.6921 2.3411 16.0196 15.8945
5 14 0 29.4392 2.0685 14.4240 -23.9844
6 14 0 23.8458 3.8030 15.3859 -20.1053
7 14 0 10.1191 4.5305 -3.7605 -2.3746
8 14 0 3.8322 5.3476 -3.0863 -5.9267
9 14 0 15.5864 2.9364 8.0176 -8.0518
10 14 0 12.4841 4.1792 -7.9121 -0.9581
11 14 0 3.4762 4.9446 -0.8065 -4.3778
12 14 0 17.9724 2.6668 19.0570 -8.0277
13 14 0 8.1053 5.5229 9.8576 -3.2718
1 15 0 6.8434 5.2602 -9.3164 -0.2328
2 15 0 9.5192 4.8485 10.5070 -0.0260
3 15 0 16.0342 2.9699 15.0355 2.7459
4 15 0 22.4699 2.4353 16.4925 11.4326
5 15 0 7.1540 5.6455 -3.3569 -9.0136
6 15 0 4.1839 5.9651 -9.0074 -2.6715
7 15 0 12.8537 3.5186 -10.3376 -3.6622
8 15 0 19.5965 3.1586 -4.1656 -13.9671
9 15 0 10.7324 4.4227 10.6410 -0.1704
10 15 0 20.4986 2.4925 17.9533 1.1456
11 15 0 3.5643 4.9612 -6.6738 2.9235
12 15 0 9.7324 4.1871 -5.9215 5.9735
0 16 0 6.9395 5.2653 5.8011 0.3080
1 16 0 8.7084 3.9882 -3.9303 -0.2743
2 16 0 3.2980 4.6664 4.7102 1.7299
3 16 0 3.8828 5.3578 1.4941 -3.3229
4 16 0 7.4556 5.3015 -4.5650 -2.3927
5 16 0 11.2465 4.1244 -5.1395 -5.8637
6 16 0 12.0505 3.3945 -4.3750 7.0548
7 16 0 21.2804 3.4019 1.9262 22.1886
8 16 0 12.1539 3.8482 7.4003 14.0271
9 16 0 3.3381 5.7508 0.3142 0.1392
10 16 0 10.3649 4.6539 -12.4912 0.9373
11 16 0 4.0174 5.4487 0.1671 -3.4120
1 17 0 24.8722 2.5476 -11.6511 17.8733
2 17 0 3.7535 5.1975 -0.7815 3.8518
3 17 0 7.2033 4.9501 -2.6929 -3.5181
4 17 0 3.9246 5.4487 -5.2991 -2.7470
5 17 0 4.0653 5.5085 0.9878 -2.0997
6 17 0 3.5738 5.1975 1.4936 -5.3916
7 17 0 7.8413 6.8747 -5.3713 0.8993
8 17 0 14.5070 3.1549 2.9366 12.6533
9 17 0 8.3701 6.2989 6.6246 6.3528
10 17 0 13.5085 3.6452 2.9354 -9.9434
0 18 0 21.1080 2.6070 0.7602 -18.5781
1 18 0 7.3877 5.2912 1.5715 0.5003
2 18 0 9.7704 5.8297 2.5266 7.5309
3 18 0 4.4235 6.1896 7.9589 -2.5169
4 18 0 7.9699 5.7650 -3.0032 -10.0629
5 18 0 3.7899 5.3527 5.7760 -5.3449
6 18 0 4.0081 5.7650 2.9230 -0.1226
7 18 0 19.0802 2.7304 -11.6221 -13.3095
8 18 0 3.7266 5.1870 0.5261 -2.5880
9 18 0 4.2941 5.8169 4.7693 0.4573
1 19 0 4.9035 6.9810 0.9742 -7.2777
2 19 0 12.8367 3.1686 -11.8444 0.1611
3 19 0 9.6377 4.5086 -2.1399 8.5602
4 19 0 22.8543 2.6780 23.6142 -3.0276
5 19 0 13.3287 3.6364 11.7269 -8.5709
6 19 0 4.7981 6.8787 -5.9864 -3.2222
7 19 0 17.7914 2.8588 -13.6437 -6.1292
0 20 0 3.8753 5.3374 -5.3466 0.3269
1 20 0 11.9373 3.2974 9.0534 -0.6372
2 20 0 9.7015 4.1209 6.0108 3.1240
3 20 0 9.2143 5.8800 -10.5469 2.0785
4 20 0 3.5789 5.2028 -0.9649 -3.3138
5 20 0 22.4366 2.6350 19.7790 -5.8446
1 21 0 18.7575 2.7938 2.5576 -15.7527
2 21 0 3.7448 5.2809 -5.6653 -8.3360
-17 0 1 4.4681 6.3162 -5.6683 0.0000
-16 0 1 7.1347 3.7869 -9.4424 0.0000
-15 0 1 3.4650 4.8947 7.5426 0.0000
-14 0 1 24.8222 2.0521 27.3569 0.0000
-13 0 1 30.0392 1.8370 32.2872 0.0000
-12 0 1 10.0478 3.3337 -11.5366 0.0000
-11 0 1 10.7599 3.3426 -11.1674 0.0000
-10 0 1 16.3149 1.8355 15.8919 0.0000
-9 0 1 5.9986 4.0658 9.5059 0.0000
-8 0 1 64.6273 1.1369 -65.7346 0.0000
-7 0 1 38.2964 1.1548 -40.1354 0.0000
-6 0 1 25.7563 1.1597 26.3017 0.0000
-5 0 1 9.1497 1.7714 -9.7740 0.0000
-4 0 1 54.1530 0.8452 -56.0705 0.0000
-3 0 1 49.3677 0.7535 51.0802 0.0000
-2 0 1 83.9428 0.6188 -89.4384 0.0000
-1 0 1 49.1718 0.5666 -50.3353 0.0000
0 0 1 34.4718 0.5799 -35.9386 0.0000
1 0 1 30.9961 0.6598 31.6152 0.0000
2 0 1 32.6844 0.7556 33.9532 0.0000
3 0 1 141.2857 0.7293 -147.5291 0.0000
4 0 1 61.1417 0.8622 62.3378 0.0000
5 0 1 95.3331 0.9116 96.0488 0.0000
6 0 1 16.4856 1.4513 -16.9908 0.0000
7 0 1 9.8669 2.0494 -9.6254 0.0000
8 0 1 18.1833 1.6172 -16.5223 0.0000
9 0 1 21.2877 1.6170 -25.0784 0.0000
10 0 1 15.8990 1.9612 17.1594 0.0000
11 0 1 19.2830 2.0012 18.6961 0.0000
12 0 1 8.5727 3.5202 -6.0159 0.0000
13 0 1 8.3825 3.5172 -10.7849 0.0000
14 0 1 20.3249 2.2100 -19.5512 0.0000
15 0 1 2.8598 4.0395 -4.3450 0.0000
16 0 1 8.8821 3.4295 10.8626 0.0000
17 0 1 8.4557 3.3289 9.2253 0.0000
-17 1 1 7.2674 5.2446 6.7236 6.9251
-16 1 1 12.1145 3.1663 -3.3664 11.7188
-15 1 1 12.0244 2.9590 -6.9755 10.9649
-14 1 1 13.3106 3.0210 -7.4854 -8.1944
-13 1 1 13.7942 4.4369 12.1916 -8.4157
-12 1 1 34.5032 1.8544 32.4689 9.0298
-11 1 1 3.6934 5.2133 2.5937 -2.8059
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