#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221421.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_2221421_Fobs
loop_
_publ_author_name
'Nguyen, Vi T.'
'Bishop, Roger'
'Craig, Donald C.'
'Scudder, Marcia L.'
_publ_section_title
;
 (1<i>R</i>*,2<i>R</i>*,4<i>S</i>*,5<i>R</i>*,6<i>R</i>*,8<i>S</i>*)-4,8-Dimethyl-2,6-diphenylbicyclo[3.3.1]nonane-2,6-diol
;
_journal_coeditor_code           KP2208
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o886
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_data_source_file    kp2208Isup2.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
2 0 0 191.046 -185.896 8.611
4 0 0 134.922 -131.675 1.538
6 0 0 22.086 22.780 0.314
8 0 0 22.882 24.714 0.308
10 0 0 92.559 91.513 0.489
12 0 0 64.114 63.881 0.533
14 0 0 80.707 -81.300 1.651
16 0 0 32.339 34.164 0.365
18 0 0 27.781 27.883 0.836
20 0 0 10.327 -10.975 1.553
22 0 0 13.162 -14.989 0.339
-22 0 2 12.678 11.953 0.511
-20 0 2 7.698 -7.866 0.723
-18 0 2 27.165 -28.853 0.546
-16 0 2 36.287 36.734 0.521
-14 0 2 10.312 -10.731 0.595
-12 0 2 34.321 33.074 0.404
-10 0 2 2.369 1.541 1.529
-8 0 2 6.971 -7.844 0.401
-6 0 2 29.515 26.111 0.314
-4 0 2 254.831 261.559 1.727
-2 0 2 129.087 -132.929 0.363
0 0 2 133.075 -139.260 0.331
2 0 2 345.972 331.805 1.653
4 0 2 161.374 159.544 0.457
6 0 2 48.913 45.129 0.452
8 0 2 24.731 -25.273 0.314
10 0 2 25.607 -28.724 0.367
12 0 2 11.648 10.645 0.479
14 0 2 84.480 85.548 0.805
16 0 2 49.507 -48.956 0.538
18 0 2 0.000 -1.415 10.318
20 0 2 3.998 5.685 2.159
22 0 2 7.826 8.968 0.513
-22 0 4 6.672 -7.700 0.566
-20 0 4 0.000 3.071 10.189
-18 0 4 4.820 5.138 2.094
-16 0 4 24.442 24.233 0.554
-14 0 4 0.000 -2.453 10.189
-12 0 4 14.899 13.677 0.522
-10 0 4 13.476 -13.522 0.425
-8 0 4 71.636 70.585 0.643
-6 0 4 40.578 -38.160 0.401
-4 0 4 3.741 -5.592 0.501
-2 0 4 135.600 137.447 0.470
0 0 4 71.089 -76.165 0.442
2 0 4 92.395 94.227 0.470
4 0 4 66.141 -66.043 0.513
6 0 4 62.287 61.085 0.586
8 0 4 75.787 -70.505 0.664
10 0 4 29.471 29.065 0.389
12 0 4 24.315 -24.656 0.474
14 0 4 15.813 15.631 0.527
16 0 4 10.584 -9.317 0.656
18 0 4 0.000 -2.662 10.351
20 0 4 10.820 -10.297 0.605
-20 0 6 9.502 10.612 0.673
-18 0 6 20.205 -20.270 0.539
-16 0 6 22.077 20.733 0.613
-14 0 6 60.997 64.982 0.626
-12 0 6 9.497 11.786 0.594
-10 0 6 14.066 14.776 0.461
-8 0 6 40.906 -38.825 0.415
-6 0 6 67.662 67.781 0.659
-4 0 6 61.751 58.983 0.596
-2 0 6 124.198 120.901 0.577
0 0 6 114.726 -110.775 0.566
2 0 6 24.399 22.349 0.295
4 0 6 71.088 72.245 0.616
6 0 6 38.646 -40.435 0.372
8 0 6 11.734 -11.411 0.420
10 0 6 33.979 -34.521 0.436
12 0 6 43.710 -42.755 0.479
14 0 6 38.017 40.391 0.544
16 0 6 5.631 3.884 1.625
18 0 6 33.200 -30.988 0.500
20 0 6 8.564 8.260 0.591
-20 0 8 8.810 -9.728 0.572
-18 0 8 29.223 29.484 0.528
-16 0 8 31.326 -31.090 0.547
-14 0 8 26.154 27.121 0.569
-12 0 8 36.662 36.980 0.510
-10 0 8 38.624 39.435 0.468
-8 0 8 5.840 8.871 0.645
-6 0 8 48.083 50.078 0.500
-4 0 8 172.495 -164.791 0.739
-2 0 8 130.511 127.330 0.702
0 0 8 118.574 116.754 0.697
2 0 8 13.414 -15.568 0.372
4 0 8 10.176 10.774 0.438
6 0 8 48.673 -50.543 0.486
8 0 8 7.326 7.692 0.724
10 0 8 32.407 34.493 0.495
12 0 8 31.564 -31.445 0.521
14 0 8 44.683 -44.706 0.547
16 0 8 21.082 21.738 0.534
18 0 8 8.061 10.031 0.626
-18 0 10 13.350 12.113 0.518
-16 0 10 9.411 -10.995 0.706
-14 0 10 0.000 -2.209 10.287
-12 0 10 6.472 6.532 1.006
-10 0 10 20.080 20.840 0.540
-8 0 10 19.468 20.410 0.530
-6 0 10 51.220 -53.186 0.509
-4 0 10 82.540 78.277 0.734
-2 0 10 74.140 -70.734 0.712
0 0 10 23.736 21.512 0.439
2 0 10 21.037 18.180 0.455
4 0 10 18.506 -17.372 0.486
6 0 10 13.207 13.081 0.533
8 0 10 15.176 17.549 0.596
10 0 10 61.040 -61.178 0.640
12 0 10 38.726 37.705 0.549
14 0 10 11.511 -10.670 0.659
16 0 10 12.012 -13.407 0.609
18 0 10 0.000 3.320 10.287
-16 0 12 17.714 18.501 0.540
-14 0 12 3.753 -2.928 1.800
-12 0 12 12.060 11.694 0.642
-10 0 12 14.793 -16.798 0.620
-8 0 12 16.462 14.036 0.620
-6 0 12 19.631 -20.661 0.551
-4 0 12 8.058 7.297 0.755
-2 0 12 18.840 -18.980 0.532
0 0 12 12.637 10.545 0.579
2 0 12 16.858 -18.193 0.542
4 0 12 21.661 24.694 0.543
6 0 12 29.545 -31.092 0.555
8 0 12 20.073 -19.508 0.585
10 0 12 0.000 4.064 10.302
12 0 12 0.000 -2.264 10.302
14 0 12 3.578 5.211 1.073
16 0 12 6.464 -5.996 0.613
-14 0 14 4.259 3.708 1.536
-12 0 14 16.336 15.701 0.517
-10 0 14 2.984 -1.232 2.857
-8 0 14 4.060 1.626 2.186
-6 0 14 12.085 9.594 0.619
-4 0 14 14.579 -18.369 0.642
-2 0 14 2.677 -4.516 2.993
0 0 14 17.879 -16.142 0.641
2 0 14 25.786 26.660 0.618
4 0 14 13.344 -14.140 0.640
6 0 14 9.836 9.328 0.671
8 0 14 17.517 -17.573 0.543
10 0 14 12.470 -11.372 0.585
12 0 14 0.000 -3.807 10.328
-10 0 16 11.462 10.724 0.498
-8 0 16 0.000 -0.940 10.289
-6 0 16 0.000 0.233 10.289
-4 0 16 0.000 2.355 10.289
-2 0 16 6.286 -7.738 1.587
0 0 16 0.000 -5.205 10.289
2 0 16 9.531 9.658 0.603
4 0 16 7.942 -7.021 0.692
6 0 16 7.503 9.753 0.693
8 0 16 0.000 -5.211 10.289
-2 0 18 0.000 1.230 10.328
0 0 18 3.969 5.045 1.386
1 1 0 82.557 83.425 2.883
3 1 0 245.624 -232.988 7.889
5 1 0 60.804 -60.226 0.319
7 1 0 30.073 -27.925 0.384
9 1 0 9.511 10.116 0.264
11 1 0 7.432 8.017 0.337
13 1 0 22.738 -23.186 0.330
15 1 0 34.892 -35.813 0.887
17 1 0 32.519 32.080 0.388
19 1 0 10.863 11.187 0.589
21 1 0 10.238 -10.257 0.403
-21 1 1 9.594 -7.679 0.607
-19 1 1 10.365 11.258 0.653
-17 1 1 2.663 2.394 3.395
-15 1 1 4.069 -2.386 1.951
-13 1 1 53.691 54.178 0.555
-11 1 1 41.968 -41.918 0.431
-9 1 1 17.091 -15.760 0.336
-7 1 1 11.578 -12.338 0.290
-5 1 1 70.313 70.578 0.456
-3 1 1 122.940 124.471 0.380
-1 1 1 92.273 92.326 0.290
1 1 1 65.378 -67.076 0.287
3 1 1 48.740 48.747 0.367
5 1 1 89.539 -90.901 0.468
7 1 1 7.197 5.940 0.320
9 1 1 17.355 17.244 0.350
11 1 1 3.932 3.175 1.224
13 1 1 23.520 24.144 0.470
15 1 1 28.980 -28.638 0.506
17 1 1 14.945 14.992 0.676
19 1 1 7.233 -8.922 0.667
21 1 1 4.446 -3.224 1.542
-21 1 2 1.571 -2.725 2.683
-19 1 2 1.770 -1.298 3.857
-17 1 2 1.878 -0.231 3.385
-15 1 2 11.842 12.236 0.619
-13 1 2 3.723 -5.593 2.203
-11 1 2 13.187 11.187 0.408
-9 1 2 23.809 -23.497 0.329
-7 1 2 5.335 -3.221 0.400
-5 1 2 96.689 -97.213 0.478
-3 1 2 172.212 175.738 0.427
-1 1 2 169.379 -178.941 1.312
1 1 2 7.108 -6.985 0.194
3 1 2 3.648 5.512 0.377
5 1 2 39.340 -43.020 0.373
7 1 2 35.906 -34.637 0.353
9 1 2 19.180 17.412 0.354
11 1 2 71.431 -70.808 0.672
13 1 2 77.016 78.607 0.757
15 1 2 29.441 -28.512 0.516
17 1 2 20.266 -19.717 0.591
19 1 2 3.933 1.906 2.118
21 1 2 11.310 10.626 0.545
-21 1 3 2.062 -1.423 2.306
-19 1 3 0.000 1.976 10.216
-17 1 3 17.049 19.036 0.592
-15 1 3 41.911 -39.864 0.493
-13 1 3 20.645 21.339 0.462
-11 1 3 5.570 1.873 0.635
-9 1 3 59.477 61.366 0.581
-7 1 3 24.542 -23.508 0.293
-5 1 3 104.309 -102.380 0.506
-3 1 3 19.914 20.890 0.216
-1 1 3 164.490 163.115 0.423
1 1 3 88.051 85.906 0.403
3 1 3 29.558 -33.005 0.295
5 1 3 31.067 -30.706 0.316
7 1 3 7.521 -6.662 0.378
9 1 3 45.636 44.988 0.453
11 1 3 0.000 -5.045 10.318
13 1 3 24.135 24.008 0.482
15 1 3 20.323 -20.418 0.537
17 1 3 0.000 1.834 10.318
19 1 3 9.229 8.860 0.722
21 1 3 3.124 -2.249 1.288
-21 1 4 3.751 -4.977 1.876
-19 1 4 10.698 -10.333 0.650
-17 1 4 0.000 -0.570 10.189
-15 1 4 14.876 14.623 0.590
-13 1 4 0.000 -0.770 10.189
-11 1 4 28.048 -26.652 0.399
-9 1 4 3.603 3.233 1.122
-7 1 4 5.119 4.248 0.495
-5 1 4 17.018 16.031 0.266
-3 1 4 5.597 -5.947 0.341
-1 1 4 71.092 -70.947 0.451
1 1 4 78.492 78.604 0.456
3 1 4 11.390 11.052 0.259
5 1 4 7.082 -7.606 0.350
7 1 4 50.231 49.085 0.488
9 1 4 44.946 -46.378 0.442
11 1 4 19.029 18.694 0.428
13 1 4 5.032 -5.691 1.604
15 1 4 13.686 13.711 0.617
17 1 4 11.584 11.402 0.672
19 1 4 4.762 -4.635 1.684
21 1 4 11.339 -9.880 0.503
-21 1 5 2.727 2.537 1.364
-19 1 5 10.053 -8.882 0.559
-17 1 5 21.749 21.980 0.559
-15 1 5 6.162 5.351 1.793
-13 1 5 26.631 -26.847 0.479
-11 1 5 0.000 1.433 10.189
-9 1 5 42.272 -44.138 0.418
-7 1 5 41.074 41.355 0.398
-5 1 5 53.855 52.871 0.502
-3 1 5 6.614 -8.087 0.317
-1 1 5 70.849 -69.856 0.508
1 1 5 6.496 7.765 0.342
3 1 5 48.149 -45.552 0.471
5 1 5 49.493 49.196 0.521
7 1 5 42.832 -42.440 0.414
9 1 5 23.514 23.120 0.391
11 1 5 17.533 -18.716 0.463
13 1 5 19.220 20.048 0.529
15 1 5 13.013 11.976 0.708
17 1 5 23.987 -25.042 0.566
19 1 5 4.699 2.853 0.835
21 1 5 1.244 1.575 4.077
-21 1 6 8.698 8.222 0.544
-19 1 6 0.000 1.560 10.197
-17 1 6 45.043 -46.372 0.541
-15 1 6 20.155 21.887 0.587
-13 1 6 16.281 -16.529 0.520
-11 1 6 16.099 13.877 0.477
-9 1 6 24.825 -26.262 0.394
-7 1 6 63.747 -63.036 0.595
-5 1 6 39.037 37.556 0.387
-3 1 6 41.296 40.878 0.415
-1 1 6 116.163 -111.827 0.572
1 1 6 5.420 8.139 0.492
3 1 6 21.791 21.711 0.305
5 1 6 20.376 21.184 0.340
7 1 6 13.077 11.999 0.389
9 1 6 0.000 1.903 10.197
11 1 6 9.474 7.654 0.570
13 1 6 5.791 5.110 1.831
15 1 6 10.060 9.165 0.726
17 1 6 5.106 -3.284 1.805
19 1 6 9.244 8.472 0.606
-21 1 7 7.713 8.005 0.528
-19 1 7 3.512 4.215 2.078
-17 1 7 1.797 1.502 3.917
-15 1 7 33.990 35.529 0.546
-13 1 7 2.587 -2.978 3.658
-11 1 7 3.427 -5.942 2.498
-9 1 7 22.509 -22.421 0.415
-7 1 7 15.360 12.699 0.409
-5 1 7 6.865 -6.028 0.497
-3 1 7 82.597 79.914 0.644
-1 1 7 21.217 -20.787 0.318
1 1 7 20.116 -18.470 0.326
3 1 7 0.000 -0.517 10.198
5 1 7 36.855 -37.097 0.355
7 1 7 25.678 -24.264 0.388
9 1 7 15.008 -13.767 0.464
11 1 7 27.004 26.735 0.488
13 1 7 17.373 -16.845 0.571
15 1 7 6.677 7.613 0.875
17 1 7 5.426 -5.837 1.956
19 1 7 7.144 -9.246 0.693
-19 1 8 8.121 8.609 0.680
-17 1 8 12.856 12.568 0.569
-15 1 8 21.157 -21.356 0.570
-13 1 8 14.450 -13.858 0.598
-11 1 8 4.000 -5.098 2.742
-9 1 8 7.038 7.266 0.771
-7 1 8 7.539 8.071 0.634
-5 1 8 57.110 -55.457 0.583
-3 1 8 57.243 -54.634 0.546
-1 1 8 103.505 99.113 0.696
1 1 8 34.982 -34.580 0.354
3 1 8 15.574 -14.418 0.388
5 1 8 15.427 -16.133 0.415
7 1 8 6.097 6.297 0.662
9 1 8 12.852 15.018 0.551
11 1 8 14.688 16.469 0.607
13 1 8 23.544 -24.610 0.551
15 1 8 10.928 10.273 0.687
17 1 8 12.369 12.878 0.613
19 1 8 0.000 -3.404 10.290
-19 1 9 14.191 15.314 0.501
-17 1 9 3.746 -3.244 2.017
-15 1 9 21.479 21.292 0.538
-13 1 9 26.725 28.203 0.543
-11 1 9 3.335 -1.509 1.179
-9 1 9 9.205 -8.358 0.659
-7 1 9 3.234 -2.498 1.212
-5 1 9 30.511 27.854 0.408
-3 1 9 16.136 14.518 0.438
-1 1 9 8.861 7.124 0.487
1 1 9 12.164 10.822 0.448
3 1 9 0.000 2.480 10.269
5 1 9 17.241 -18.205 0.471
7 1 9 26.356 27.103 0.471
9 1 9 57.683 -59.437 0.610
11 1 9 8.291 8.272 0.763
13 1 9 6.082 6.206 0.924
15 1 9 10.007 -6.332 0.686
17 1 9 6.292 5.519 0.632
-19 1 10 6.964 -6.866 0.642
-17 1 10 7.324 7.851 0.741
-15 1 10 5.352 -1.347 1.708
-13 1 10 18.634 18.788 0.590
-11 1 10 23.999 -24.765 0.568
-9 1 10 27.240 29.042 0.510
-7 1 10 24.002 -24.019 0.489
-5 1 10 15.374 14.329 0.515
-3 1 10 16.698 -16.197 0.477
-1 1 10 4.265 4.188 1.696
1 1 10 27.053 26.500 0.445
3 1 10 0.000 1.570 10.280
5 1 10 22.912 -23.284 0.506
7 1 10 23.652 22.524 0.503
9 1 10 14.592 -14.444 0.560
11 1 10 12.209 13.043 0.656
13 1 10 0.000 -0.015 10.280
15 1 10 1.664 -2.230 4.161
17 1 10 2.389 0.518 2.069
-17 1 11 3.529 5.814 2.037
-15 1 11 3.782 5.513 2.237
-13 1 11 3.183 -6.605 3.313
-11 1 11 21.608 20.188 0.585
-9 1 11 14.973 14.796 0.583
-7 1 11 22.809 -24.037 0.527
-5 1 11 3.838 -2.253 1.200
-3 1 11 0.000 -1.281 10.287
-1 1 11 44.076 42.754 0.470
1 1 11 9.473 -9.751 0.585
3 1 11 8.766 -9.348 0.726
5 1 11 32.940 -34.117 0.498
7 1 11 9.399 10.592 0.727
9 1 11 28.185 28.634 0.553
11 1 11 22.644 -23.507 0.583
13 1 11 6.050 -7.989 1.953
15 1 11 0.000 -1.680 10.287
17 1 11 2.925 2.216 1.125
-17 1 12 3.370 -1.886 1.785
-15 1 12 2.554 0.995 1.481
-13 1 12 4.300 4.844 2.150
-11 1 12 19.282 19.927 0.596
-9 1 12 32.575 -32.500 0.552
-7 1 12 18.018 19.364 0.575
-5 1 12 19.199 20.562 0.543
-3 1 12 5.512 -4.843 2.187
-1 1 12 3.164 -1.067 2.417
1 1 12 7.101 -7.208 0.655
3 1 12 2.739 4.005 1.531
5 1 12 60.281 62.818 0.599
7 1 12 40.334 -40.814 0.542
9 1 12 5.299 3.636 1.481
11 1 12 0.000 -0.371 10.302
13 1 12 6.272 7.832 1.659
15 1 12 6.319 5.282 0.621
-15 1 13 4.192 -4.416 1.848
-13 1 13 17.157 17.316 0.534
-11 1 13 18.934 -18.651 0.562
-9 1 13 5.668 -5.773 0.872
-7 1 13 5.001 -4.084 1.989
-5 1 13 0.000 -2.874 10.302
-3 1 13 5.572 -3.433 1.048
-1 1 13 9.634 9.866 0.698
1 1 13 16.553 -17.781 0.569
3 1 13 0.000 -3.136 10.302
5 1 13 2.677 0.340 3.412
7 1 13 28.850 -28.543 0.556
9 1 13 0.000 1.005 10.302
11 1 13 3.713 3.942 1.531
13 1 13 3.232 3.230 1.741
-15 1 14 5.864 -5.573 0.661
-13 1 14 2.530 -5.591 3.183
-11 1 14 12.697 11.683 0.597
-9 1 14 5.485 -6.563 1.036
-7 1 14 2.603 4.816 3.681
-5 1 14 0.000 -3.999 10.328
-3 1 14 2.672 4.738 3.778
-1 1 14 3.278 3.880 2.839
1 1 14 8.410 8.766 0.732
3 1 14 4.199 -8.130 3.225
5 1 14 0.000 -2.219 10.328
7 1 14 14.338 14.913 0.551
9 1 14 5.768 6.075 1.020
11 1 14 4.638 -5.065 1.009
13 1 14 0.000 2.587 10.328
-13 1 15 0.000 -0.823 10.328
-11 1 15 0.000 3.230 10.328
-9 1 15 2.290 -1.811 3.239
-7 1 15 15.786 -16.328 0.564
-5 1 15 5.044 -7.389 2.091
-3 1 15 3.629 -4.629 2.128
-1 1 15 7.995 -8.717 0.888
1 1 15 19.114 20.080 0.569
3 1 15 17.390 -17.421 0.563
5 1 15 6.270 -5.164 0.727
7 1 15 18.689 -18.847 0.539
9 1 15 3.610 -5.214 1.276
11 1 15 4.852 5.662 1.343
-11 1 16 1.220 -0.083 4.000
-9 1 16 2.281 2.435 1.334
-7 1 16 3.761 -1.689 1.717
-5 1 16 4.851 -4.022 1.044
-3 1 16 3.325 2.243 1.314
-1 1 16 4.742 -4.904 1.966
1 1 16 7.494 8.181 0.826
3 1 16 2.286 3.531 3.233
5 1 16 5.532 -8.522 1.818
7 1 16 2.435 2.752 2.332
9 1 16 1.217 1.438 3.702
-7 1 17 11.242 11.040 0.533
-5 1 17 10.498 -10.117 0.540
-3 1 17 4.812 -7.923 1.992
-1 1 17 4.119 -5.558 0.883
1 1 17 2.896 -1.561 2.111
3 1 17 0.000 0.170 10.289
5 1 17 6.907 5.974 0.590
-1 1 18 3.772 0.752 1.279
0 2 0 76.004 -80.256 0.326
2 2 0 109.023 -109.371 4.008
4 2 0 10.706 -9.153 0.167
6 2 0 28.358 -29.003 0.358
8 2 0 45.983 45.111 0.487
10 2 0 11.064 -8.470 0.632
12 2 0 31.828 -30.219 0.458
14 2 0 36.593 -38.355 1.301
16 2 0 32.066 30.603 0.387
18 2 0 13.572 -13.564 0.925
20 2 0 11.094 11.088 0.429
22 2 0 7.064 -5.808 0.858
-22 2 1 1.255 -1.473 4.116
-20 2 1 1.637 -2.496 3.568
-18 2 1 24.096 21.565 0.537
-16 2 1 17.728 -17.956 0.572
-14 2 1 9.918 -9.123 0.567
-12 2 1 9.481 -9.192 0.519
-10 2 1 29.549 -27.791 0.358
-8 2 1 57.610 56.033 0.529
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