#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/20/2222037.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_2222037_Fobs
loop_
_publ_author_name
'Mizobe, Yuji'
'Bishop, Roger'
'Craig, Donald C.'
'Scudder, Marcia L.'
_publ_section_title
;
2,8-Dimethyltricyclo[5.3.1.1^3,9^]dodecane-syn-2,syn-8-diol--propanoic
acid (1/1)
;
_journal_coeditor_code HG2504
_journal_issue 6
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first o1241
_journal_volume 65
_journal_year 2009
_[local]_cod_data_source_file hg2504Isup2.hkl
_[local]_cod_data_source_block I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_meas
_refln_F_calc
_refln_F_sigma
1 0 0 133.068 -129.219 0.527
2 0 0 36.234 -32.973 0.185
3 0 0 60.881 -58.378 0.235
4 0 0 24.165 22.441 0.246
5 0 0 5.411 4.404 0.326
6 0 0 6.555 -4.645 0.364
7 0 0 6.663 6.064 0.388
8 0 0 2.070 4.005 1.341
-8 0 2 6.451 -5.542 0.465
-7 0 2 6.135 -6.580 0.400
-6 0 2 8.587 8.304 0.300
-5 0 2 11.063 -10.415 0.216
-4 0 2 17.263 -16.397 0.179
-3 0 2 92.872 90.494 0.228
-2 0 2 11.260 -12.865 0.118
-1 0 2 12.218 15.642 0.128
0 0 2 133.196 -129.171 1.499
1 0 2 46.065 43.619 0.157
2 0 2 79.418 75.731 0.202
3 0 2 58.861 -56.731 0.250
4 0 2 25.398 24.982 0.263
5 0 2 10.555 -10.635 0.263
6 0 2 5.205 3.966 0.435
7 0 2 5.063 6.275 0.533
-8 0 4 8.816 8.070 0.390
-6 0 4 12.570 -12.774 0.255
-5 0 4 8.234 -8.859 0.249
-4 0 4 16.152 13.894 0.167
-3 0 4 3.649 2.827 0.279
-2 0 4 50.135 49.732 0.187
-1 0 4 0.000 -1.036 10.527
0 0 4 43.229 -40.184 0.813
1 0 4 69.524 73.710 0.191
2 0 4 62.081 -60.396 0.226
3 0 4 37.886 37.640 0.275
4 0 4 5.333 -5.192 0.313
5 0 4 23.658 23.154 0.230
6 0 4 10.610 -11.332 0.281
7 0 4 8.453 -9.210 0.409
-8 0 6 1.917 -0.022 2.070
-6 0 6 10.346 9.768 0.270
-5 0 6 1.801 0.402 1.331
-4 0 6 1.814 0.453 1.214
-3 0 6 0.928 1.922 1.899
-2 0 6 9.319 -7.902 0.139
-1 0 6 52.247 53.331 0.195
0 0 6 15.862 16.623 0.117
1 0 6 22.627 -22.987 0.201
2 0 6 0.970 1.391 1.799
3 0 6 7.767 7.297 0.222
4 0 6 2.956 -1.607 0.565
5 0 6 0.000 0.585 11.176
6 0 6 4.988 4.987 0.486
7 0 6 1.656 4.174 2.715
-8 0 8 2.214 -0.870 1.805
-6 0 8 2.523 -1.983 1.366
-5 0 8 9.350 8.533 0.232
-4 0 8 5.185 4.710 0.278
-3 0 8 12.951 11.451 0.161
-2 0 8 58.231 -56.363 0.232
-1 0 8 18.154 -20.627 0.187
0 0 8 21.218 -20.520 0.147
1 0 8 66.782 65.994 0.253
2 0 8 2.509 1.829 0.454
3 0 8 9.039 9.646 0.238
4 0 8 13.999 -15.247 0.252
5 0 8 1.432 -0.957 2.264
6 0 8 0.781 1.385 4.988
-8 0 10 2.734 0.670 1.476
-7 0 10 3.611 -3.007 0.580
-6 0 10 2.898 2.793 0.692
-5 0 10 9.878 -9.408 0.272
-4 0 10 4.719 4.332 0.324
-3 0 10 2.062 3.342 0.579
-2 0 10 1.222 -1.805 0.841
-1 0 10 14.286 12.915 0.154
0 0 10 7.162 7.184 0.141
1 0 10 2.194 -2.185 0.587
2 0 10 0.000 0.516 10.527
3 0 10 2.285 -1.485 1.277
4 0 10 0.000 2.201 10.935
5 0 10 0.000 -1.004 10.625
-8 0 12 1.963 -2.297 2.231
-7 0 12 15.123 15.309 0.259
-6 0 12 18.318 -17.636 0.238
-5 0 12 2.101 -1.743 0.912
-4 0 12 7.796 -7.760 0.268
-3 0 12 2.961 -3.135 0.461
-2 0 12 34.250 35.409 0.289
-1 0 12 26.910 -26.723 0.254
0 0 12 0.328 2.157 2.435
1 0 12 4.517 -4.326 0.370
2 0 12 4.146 3.963 0.438
3 0 12 4.889 -5.434 0.451
4 0 12 8.196 7.873 0.333
5 0 12 1.797 -0.853 2.237
-8 0 14 1.122 2.119 2.345
-7 0 14 2.612 -0.530 0.907
-6 0 14 4.056 -3.497 0.560
-5 0 14 11.182 10.777 0.269
-4 0 14 21.914 -21.706 0.226
-3 0 14 13.405 13.361 0.222
-2 0 14 21.652 -20.776 0.215
-1 0 14 10.437 10.286 0.236
0 0 14 19.979 19.464 0.329
1 0 14 13.571 -13.952 0.232
2 0 14 3.998 3.905 0.458
3 0 14 2.509 -3.795 0.871
4 0 14 0.000 -0.492 10.509
-7 0 16 2.246 -2.472 1.925
-6 0 16 6.146 6.018 0.360
-5 0 16 15.729 -15.440 0.257
-4 0 16 10.909 11.474 0.269
-3 0 16 13.229 14.076 0.248
-2 0 16 5.270 -5.010 0.360
-1 0 16 10.318 -10.030 0.248
0 0 16 19.753 -19.282 0.280
1 0 16 13.620 15.781 0.262
2 0 16 2.525 2.155 1.283
3 0 16 2.492 0.486 1.421
-7 0 18 6.301 -6.314 0.492
-6 0 18 5.269 6.262 0.479
-5 0 18 0.000 0.407 10.626
-4 0 18 2.147 -2.646 1.614
-3 0 18 17.677 -19.256 0.230
-2 0 18 19.929 21.375 0.237
-1 0 18 4.372 -5.215 0.541
0 0 18 3.434 -2.637 0.451
1 0 18 0.000 -1.780 10.756
2 0 18 0.866 2.049 2.948
-6 0 20 0.000 -0.169 10.628
-5 0 20 2.614 -1.291 1.391
-4 0 20 3.741 3.990 0.659
-3 0 20 7.224 -7.137 0.396
-2 0 20 3.294 -2.623 0.708
-1 0 20 1.116 2.856 3.438
0 0 20 4.650 4.775 0.383
1 1 0 2.935 -1.101 0.195
2 1 0 11.896 11.810 0.119
3 1 0 24.917 -24.983 0.242
4 1 0 7.879 6.970 0.217
5 1 0 0.000 1.067 11.176
6 1 0 7.423 6.901 0.340
7 1 0 4.039 -3.564 0.564
8 1 0 2.012 -1.797 2.249
-8 1 1 0.000 0.319 10.889
-7 1 1 3.375 1.736 0.592
-6 1 1 11.769 -12.336 0.260
-5 1 1 6.560 6.621 0.274
-4 1 1 24.479 24.323 0.248
-3 1 1 43.505 -41.951 0.232
-2 1 1 40.528 44.095 0.184
-1 1 1 70.086 76.722 0.505
0 1 1 56.634 -51.045 0.316
1 1 1 20.643 17.575 0.156
2 1 1 67.913 -68.335 0.195
3 1 1 57.538 53.564 0.243
4 1 1 4.448 -2.881 0.289
5 1 1 5.144 -5.012 0.384
6 1 1 4.097 3.963 0.542
7 1 1 4.655 -3.645 0.520
8 1 1 0.000 0.779 10.888
-8 1 2 4.118 -2.859 0.627
-7 1 2 6.665 6.479 0.366
-6 1 2 3.127 0.526 0.609
-5 1 2 22.031 20.900 0.220
-4 1 2 15.898 -15.497 0.163
-3 1 2 33.163 -33.847 0.231
-2 1 2 1.049 1.766 1.373
-1 1 2 69.612 74.222 0.526
0 1 2 45.610 42.287 0.557
1 1 2 57.959 -56.784 0.163
2 1 2 10.433 10.399 0.133
3 1 2 1.698 1.005 0.635
4 1 2 7.429 -6.371 0.231
5 1 2 15.898 -15.846 0.221
6 1 2 3.980 3.434 0.546
7 1 2 4.659 5.003 0.553
-8 1 3 0.000 -0.476 10.891
-7 1 3 8.457 -8.607 0.327
-6 1 3 14.301 15.394 0.240
-5 1 3 1.203 -2.655 2.230
-4 1 3 17.941 16.332 0.176
-3 1 3 9.537 11.243 0.157
-2 1 3 48.016 -52.914 0.185
-1 1 3 98.028 -102.157 0.583
0 1 3 96.750 81.411 1.174
1 1 3 17.433 19.989 0.165
2 1 3 22.088 20.774 0.193
3 1 3 17.972 18.538 0.182
4 1 3 18.128 -18.283 0.186
5 1 3 8.768 6.814 0.288
6 1 3 5.693 -4.110 0.415
7 1 3 0.000 0.069 10.846
-8 1 4 0.000 0.486 10.891
-6 1 4 10.703 10.672 0.274
-5 1 4 13.873 -13.226 0.196
-4 1 4 28.085 27.393 0.277
-3 1 4 12.559 12.466 0.145
-2 1 4 14.706 -15.277 0.148
-1 1 4 24.044 -25.430 0.173
0 1 4 66.119 61.777 0.155
1 1 4 12.770 -15.239 0.132
2 1 4 14.458 13.719 0.142
3 1 4 19.378 -18.889 0.187
4 1 4 16.333 15.389 0.188
5 1 4 9.513 -9.548 0.280
6 1 4 1.745 -0.699 1.817
7 1 4 2.642 -0.671 1.524
-8 1 5 0.000 -1.848 10.892
-6 1 5 0.943 2.039 4.136
-5 1 5 20.239 -19.273 0.205
-4 1 5 2.968 2.621 0.391
-3 1 5 12.616 -11.847 0.146
-2 1 5 32.958 35.100 0.202
-1 1 5 25.073 -22.750 0.187
0 1 5 65.595 66.457 0.133
1 1 5 22.231 20.378 0.215
2 1 5 1.390 -1.392 0.735
3 1 5 25.016 -23.874 0.257
4 1 5 9.319 9.059 0.250
5 1 5 2.948 -3.978 0.717
6 1 5 2.627 -0.213 0.693
7 1 5 4.614 3.290 0.593
-8 1 6 3.471 -0.277 0.647
-6 1 6 0.000 1.082 11.151
-5 1 6 8.924 -9.041 0.230
-4 1 6 25.182 26.716 0.247
-3 1 6 35.053 -34.850 0.245
-2 1 6 59.296 57.582 0.210
-1 1 6 0.887 1.174 0.823
0 1 6 6.232 -6.400 0.453
1 1 6 3.013 4.674 0.322
2 1 6 32.150 -32.424 0.258
3 1 6 10.365 10.489 0.196
4 1 6 8.726 8.855 0.261
5 1 6 8.534 8.037 0.316
6 1 6 5.666 -6.454 0.431
7 1 6 3.800 -3.101 0.697
-8 1 7 2.484 1.808 1.349
-6 1 7 5.551 -5.700 0.411
-5 1 7 19.895 18.974 0.195
-4 1 7 20.723 -20.847 0.208
-3 1 7 10.526 9.391 0.169
-2 1 7 2.356 -1.747 0.369
-1 1 7 19.925 18.952 0.194
0 1 7 7.290 -8.831 0.317
1 1 7 6.878 -7.627 0.188
2 1 7 1.288 -1.770 0.797
3 1 7 4.900 -4.585 0.314
4 1 7 0.000 0.614 10.937
5 1 7 9.192 9.371 0.322
6 1 7 0.000 0.937 10.641
-8 1 8 1.362 0.272 2.752
-6 1 8 4.592 -4.902 0.445
-5 1 8 3.859 3.723 0.434
-4 1 8 12.476 -12.442 0.179
-3 1 8 14.171 13.183 0.160
-2 1 8 17.325 18.342 0.166
-1 1 8 8.920 -8.819 0.157
0 1 8 17.180 16.722 0.122
1 1 8 3.337 3.639 0.335
2 1 8 3.362 -2.526 0.344
3 1 8 1.732 1.294 1.576
4 1 8 18.281 -18.771 0.223
5 1 8 12.641 12.872 0.258
6 1 8 0.000 -0.666 10.641
-8 1 9 4.266 2.022 0.607
-7 1 9 0.000 2.316 10.839
-6 1 9 10.950 -10.505 0.270
-5 1 9 9.157 -8.707 0.256
-4 1 9 12.114 11.520 0.189
-3 1 9 0.000 2.603 10.858
-2 1 9 2.334 -0.977 0.432
-1 1 9 10.508 -9.864 0.155
0 1 9 5.610 -5.688 0.155
1 1 9 15.633 16.093 0.159
2 1 9 4.086 3.782 0.340
3 1 9 2.675 -1.191 0.624
4 1 9 0.000 -0.312 10.936
5 1 9 3.195 -3.686 0.684
6 1 9 0.000 1.982 10.641
-8 1 10 0.000 1.069 10.895
-7 1 10 11.948 -12.246 0.271
-6 1 10 9.038 9.419 0.309
-5 1 10 9.756 9.079 0.267
-4 1 10 8.301 8.223 0.233
-3 1 10 1.864 1.687 1.157
-2 1 10 32.721 -33.211 0.262
-1 1 10 19.564 19.292 0.192
0 1 10 2.559 1.108 0.421
1 1 10 10.969 10.832 0.182
2 1 10 3.682 3.853 0.433
3 1 10 0.000 -0.152 10.889
4 1 10 0.000 2.019 10.935
5 1 10 4.766 -5.114 0.502
-8 1 11 2.765 0.675 1.439
-7 1 11 2.546 0.621 1.350
-6 1 11 5.940 -5.661 0.388
-5 1 11 7.884 7.863 0.303
-4 1 11 16.939 -16.312 0.191
-3 1 11 30.763 31.542 0.297
-2 1 11 12.983 -13.617 0.167
-1 1 11 4.134 5.006 0.304
0 1 11 0.216 -0.682 3.653
1 1 11 17.518 -17.485 0.186
2 1 11 0.000 -0.588 10.527
3 1 11 10.566 10.950 0.275
4 1 11 2.374 2.050 0.781
5 1 11 0.000 0.820 10.624
-8 1 12 2.875 1.206 0.877
-7 1 12 3.326 -0.728 0.626
-6 1 12 3.878 -2.618 0.506
-5 1 12 0.000 2.699 11.176
-4 1 12 4.491 3.271 0.393
-3 1 12 0.000 -0.929 10.857
-2 1 12 7.571 7.560 0.217
-1 1 12 11.755 11.865 0.183
0 1 12 18.079 -16.276 0.177
1 1 12 5.059 4.176 0.323
2 1 12 1.110 0.231 2.504
3 1 12 5.150 5.224 0.427
4 1 12 0.000 -1.966 10.510
5 1 12 0.000 -0.371 10.624
-8 1 13 3.190 -3.403 0.841
-7 1 13 7.645 -7.385 0.359
-6 1 13 19.616 19.155 0.242
-5 1 13 17.801 -17.374 0.230
-4 1 13 14.182 15.215 0.222
-3 1 13 8.488 -8.598 0.258
-2 1 13 12.672 -12.149 0.190
-1 1 13 0.000 -1.805 10.502
0 1 13 8.219 -8.402 0.181
1 1 13 25.068 25.210 0.245
2 1 13 0.000 -0.653 10.527
3 1 13 5.015 -4.773 0.404
4 1 13 1.080 -0.877 3.124
-8 1 14 2.968 2.060 1.510
-7 1 14 6.601 5.979 0.440
-6 1 14 13.016 -12.648 0.278
-5 1 14 3.665 2.568 0.510
-4 1 14 1.968 2.160 1.573
-3 1 14 13.730 13.763 0.228
-2 1 14 20.180 -20.636 0.206
-1 1 14 7.233 7.029 0.268
0 1 14 17.544 17.062 0.398
1 1 14 0.000 -0.427 10.527
2 1 14 9.456 -9.960 0.280
3 1 14 2.211 -2.664 1.459
4 1 14 5.308 4.654 0.472
-8 1 15 2.107 2.311 1.241
-7 1 15 4.912 4.672 0.519
-6 1 15 8.114 -7.435 0.293
-5 1 15 3.111 3.463 0.671
-4 1 15 2.033 -1.719 1.451
-3 1 15 20.790 -20.116 0.210
-2 1 15 34.296 34.238 0.339
-1 1 15 18.264 -18.925 0.207
0 1 15 7.841 7.469 0.204
1 1 15 5.704 -6.192 0.347
2 1 15 2.846 2.251 0.717
3 1 15 2.880 -1.848 0.739
-7 1 16 0.000 0.372 10.833
-6 1 16 5.291 5.819 0.445
-5 1 16 5.112 -3.882 0.420
-4 1 16 7.738 -6.911 0.306
-3 1 16 5.488 5.471 0.372
-2 1 16 5.871 5.750 0.345
-1 1 16 0.000 -2.349 10.501
0 1 16 3.938 -4.126 0.346
1 1 16 3.777 4.623 0.572
2 1 16 4.379 4.427 0.549
3 1 16 1.674 -2.204 1.470
-7 1 17 0.000 0.420 10.833
-6 1 17 1.793 -0.903 1.255
-5 1 17 4.158 4.105 0.523
-4 1 17 8.669 -8.166 0.308
-3 1 17 6.948 7.041 0.347
-2 1 17 12.366 -11.972 0.243
-1 1 17 7.260 8.198 0.311
0 1 17 1.946 1.232 1.120
1 1 17 6.009 -5.687 0.411
2 1 17 2.802 3.432 1.592
-7 1 18 3.276 -1.496 0.728
-6 1 18 1.732 -0.386 2.157
-5 1 18 2.470 -2.327 1.425
-4 1 18 7.490 8.627 0.325
-3 1 18 2.343 -2.728 1.425
-2 1 18 2.954 2.103 0.653
-1 1 18 5.364 -5.923 0.422
0 1 18 3.522 3.829 0.664
1 1 18 0.000 -0.407 10.759
2 1 18 0.000 1.345 10.992
-6 1 19 0.000 -2.814 10.641
-5 1 19 5.099 -4.922 0.478
-4 1 19 1.363 0.290 1.644
-3 1 19 3.882 4.239 0.572
-2 1 19 2.655 0.860 1.408
-1 1 19 0.000 -0.486 10.767
0 1 19 3.377 -3.174 0.625
1 1 19 0.000 2.922 10.758
-6 1 20 1.996 -2.184 2.117
-5 1 20 1.116 1.659 3.636
-4 1 20 2.423 -1.845 1.561
-3 1 20 0.000 -0.593 10.501
-2 1 20 5.857 5.128 0.480
-1 1 20 0.000 -2.564 10.767
0 1 20 0.366 0.264 2.260
-5 1 21 4.611 4.409 0.592
-4 1 21 2.501 -4.312 1.552
-3 1 21 0.000 0.379 10.501
-2 1 21 0.000 0.018 10.970
-1 1 21 0.000 1.429 10.768
0 2 0 28.293 34.330 0.136
1 2 0 19.279 -19.395 0.166
2 2 0 14.350 17.223 0.140
3 2 0 20.117 19.597 0.194
4 2 0 31.261 -30.733 0.286
5 2 0 0.000 -1.183 11.144
6 2 0 6.196 5.977 0.351
7 2 0 1.674 1.264 2.163
8 2 0 0.000 2.085 10.919
-8 2 1 1.828 0.645 2.404
-7 2 1 1.479 -0.552 2.424
-6 2 1 1.378 0.150 2.590
-5 2 1 0.000 2.263 11.144
-4 2 1 6.733 6.963 0.232
-3 2 1 11.158 -11.633 0.155
-2 2 1 4.263 -6.171 0.215
-1 2 1 63.800 68.513 0.154
0 2 1 49.130 42.511 0.099
1 2 1 58.101 -57.080 0.163
2 2 1 34.170 -34.948 0.205
3 2 1 0.000 -0.164 10.837
4 2 1 15.279 14.461 0.177
5 2 1 2.207 -0.864 1.333
6 2 1 2.128 2.280 1.573
7 2 1 4.131 -4.422 0.601
8 2 1 0.000 0.209 10.920
-8 2 2 0.000 -0.340 10.911
-7 2 2 2.314 -1.719 1.517
-6 2 2 4.887 -4.462 0.467
-5 2 2 5.329 -4.808 0.329
-4 2 2 10.255 -9.843 0.185
-3 2 2 16.774 15.967 0.166
-2 2 2 10.024 -11.295 0.128
-1 2 2 84.338 85.157 0.589
0 2 2 45.969 -51.205 0.533
1 2 2 55.675 -59.330 0.175
2 2 2 34.742 -37.313 0.214
3 2 2 17.474 -14.993 0.177
4 2 2 28.694 28.380 0.261
5 2 2 1.300 0.094 2.442
6 2 2 0.722 2.433 5.091
7 2 2 1.888 -1.083 2.003
-8 2 3 4.171 -3.625 0.638
-7 2 3 1.778 -0.916 1.778
-6 2 3 0.000 -2.342 11.149
-5 2 3 0.000 -1.564 11.144
-4 2 3 27.437 26.731 0.243
-3 2 3 9.223 -9.734 0.158
-2 2 3 24.155 25.875 0.199
-1 2 3 42.284 -44.884 0.166
0 2 3 5.322 6.923 0.118
1 2 3 2.735 2.694 0.270
2 2 3 4.274 4.082 0.221
3 2 3 5.723 5.549 0.231
4 2 3 2.729 1.673 0.494
5 2 3 3.021 -2.778 0.663
6 2 3 6.823 -6.430 0.355
7 2 3 3.395 2.851 0.722
-8 2 4 4.528 -3.529 0.585
-7 2 4 8.817 9.220 0.310
-6 2 4 6.182 -6.917 0.375
-5 2 4 28.566 28.288 0.286
-4 2 4 28.910 -28.601 0.282
-3 2 4 20.774 -19.369 0.215
-2 2 4 4.217 -5.441 0.209
-1 2 4 3.425 -3.013 0.239
0 2 4 18.754 17.746 0.188
1 2 4 9.308 9.467 0.132
2 2 4 10.019 10.241 0.151
3 2 4 15.908 -15.736 0.163
4 2 4 1.342 -2.668 1.968
5 2 4 5.107 -4.642 0.407
6 2 4 4.012 3.072 0.478
7 2 4 3.458 -3.052 0.730
-8 2 5 2.383 -0.035 1.700
-6 2 5 13.325 -12.999 0.255
-5 2 5 24.615 24.618 0.257
-4 2 5 5.652 -5.538 0.259
-3 2 5 10.986 11.373 0.158
-2 2 5 16.437 -16.600 0.161
-1 2 5 5.262 -5.488 0.175
0 2 5 62.745 56.712 0.141
1 2 5 41.935 -42.911 0.214
2 2 5 9.108 8.953 0.164
3 2 5 9.213 8.732 0.196
4 2 5 2.600 -0.788 0.560
5 2 5 0.698 -0.882 4.847
6 2 5 5.612 -5.260 0.410
7 2 5 2.574 0.518 1.566
-8 2 6 4.224 4.958 0.669
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