#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:41:00 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181079 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/59/2215975.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_2215975_Fobs
loop_
_publ_author_name
'Mahon, Andrew B.'
'Craig, Donald C.'
'Try, Andrew C.'
_publ_section_title
;
 9-Methyl-2,6-di-<i>p</i>-tolyl-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrimido[5,6,1-<i>ij</i>]quinazoline
;
_journal_coeditor_code           HG2304
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4311
_journal_volume                  63
_journal_year                    2007
_cod_data_source_file            hg2304Isup2.hkl
_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 50.956 55.010 0.295
2 0 0 43.972 48.719 0.418
3 0 0 6.289 -6.407 0.188
4 0 0 19.248 19.976 0.233
5 0 0 13.135 13.289 0.164
6 0 0 19.283 18.760 0.181
7 0 0 9.016 -9.406 0.245
8 0 0 19.156 -17.799 0.232
9 0 0 1.919 -2.325 0.801
10 0 0 2.887 -3.083 0.926
-10 0 2 0.000 -2.053 10.129
-9 0 2 2.652 -2.630 0.902
-8 0 2 1.385 -3.567 2.979
-7 0 2 2.008 -3.302 1.377
-6 0 2 1.414 1.512 1.354
-5 0 2 14.264 14.564 0.225
-4 0 2 18.343 -17.797 0.193
-3 0 2 33.479 36.293 0.298
-2 0 2 36.877 -37.181 0.249
-1 0 2 89.060 -74.074 0.228
0 0 2 17.880 15.974 0.175
1 0 2 62.351 -60.942 0.255
2 0 2 34.880 -35.045 0.303
3 0 2 40.069 38.342 0.343
4 0 2 24.904 -26.202 0.244
5 0 2 15.675 16.497 0.246
6 0 2 21.834 22.634 0.286
7 0 2 0.000 -0.455 9.933
8 0 2 2.987 -2.040 0.716
9 0 2 0.000 1.298 10.129
-10 0 4 2.632 -1.357 1.038
-9 0 4 7.797 7.512 0.445
-8 0 4 1.946 4.147 1.650
-7 0 4 2.536 4.975 1.364
-6 0 4 39.088 38.534 0.387
-5 0 4 21.289 21.830 0.219
-4 0 4 16.065 -16.305 0.204
-3 0 4 25.941 23.883 0.257
-2 0 4 32.936 -29.533 0.314
-1 0 4 8.325 -8.051 0.183
0 0 4 35.044 -33.360 0.325
1 0 4 17.827 -17.016 0.189
2 0 4 79.132 -77.745 0.372
3 0 4 20.647 21.630 0.226
4 0 4 23.808 -23.929 0.247
5 0 4 8.026 -8.917 0.350
6 0 4 20.793 -21.192 0.322
7 0 4 6.434 -6.071 0.450
8 0 4 2.851 -3.629 1.930
-10 0 6 1.995 -1.791 2.077
-9 0 6 13.351 12.892 0.361
-8 0 6 1.711 -0.546 1.482
-7 0 6 4.384 -3.609 0.428
-6 0 6 7.597 -6.955 0.302
-5 0 6 7.641 -8.726 0.304
-4 0 6 12.986 12.510 0.227
-3 0 6 0.000 1.097 9.950
-2 0 6 7.478 8.318 0.244
-1 0 6 11.150 10.827 0.220
0 0 6 85.219 77.158 0.402
1 0 6 21.539 -20.672 0.228
2 0 6 14.810 14.968 0.242
3 0 6 6.415 7.280 0.345
4 0 6 11.788 12.418 0.311
5 0 6 9.717 9.223 0.355
6 0 6 4.798 4.607 0.677
7 0 6 1.607 -0.325 1.708
-10 0 8 11.229 -11.199 0.451
-9 0 8 7.390 -7.733 0.517
-8 0 8 2.748 3.519 1.456
-7 0 8 4.590 -4.812 0.461
-6 0 8 3.279 -3.601 0.553
-5 0 8 7.326 7.424 0.322
-4 0 8 18.887 18.808 0.263
-3 0 8 10.603 11.550 0.278
-2 0 8 13.654 13.019 0.268
-1 0 8 2.209 -1.719 1.170
0 0 8 7.887 7.749 0.296
1 0 8 14.386 -14.084 0.290
2 0 8 10.130 10.680 0.341
3 0 8 3.060 -3.498 0.788
4 0 8 6.822 -7.502 0.470
5 0 8 0.000 2.489 10.041
6 0 8 4.072 2.574 0.686
-9 0 10 3.846 4.209 0.816
-8 0 10 0.000 -0.237 9.976
-7 0 10 0.000 2.240 9.976
-6 0 10 4.618 5.617 0.578
-5 0 10 14.021 -13.779 0.333
-4 0 10 7.887 -6.898 0.356
-3 0 10 4.103 -3.502 0.556
-2 0 10 6.956 7.416 0.386
-1 0 10 0.000 -1.288 9.990
0 0 10 1.717 1.822 1.920
1 0 10 1.775 2.176 2.112
2 0 10 0.000 1.644 9.976
3 0 10 3.930 6.158 0.857
4 0 10 5.924 -6.146 0.568
-8 0 12 2.155 3.463 1.328
-7 0 12 4.768 5.242 0.679
-6 0 12 0.000 3.555 9.998
-5 0 12 8.560 9.645 0.508
-4 0 12 32.615 32.627 0.358
-3 0 12 6.152 6.067 0.519
-2 0 12 13.875 -14.281 0.400
-1 0 12 11.131 -11.780 0.429
0 0 12 0.972 -2.843 2.874
1 0 12 0.000 -0.003 10.002
1 1 0 84.992 -88.066 0.135
2 1 0 60.873 -64.379 0.460
3 1 0 53.402 54.064 1.492
4 1 0 14.395 14.484 0.143
5 1 0 6.698 7.014 0.189
6 1 0 2.333 1.227 0.550
7 1 0 18.772 -19.216 0.297
8 1 0 4.547 -4.314 0.364
9 1 0 5.266 4.607 0.430
10 1 0 0.000 -2.133 3.548
-10 1 1 2.903 2.134 1.568
-9 1 1 5.510 5.422 0.505
-8 1 1 5.677 -5.386 0.494
-7 1 1 0.000 0.204 9.933
-6 1 1 8.021 -7.985 0.269
-5 1 1 14.821 -15.602 0.224
-4 1 1 29.485 -31.186 0.296
-3 1 1 0.000 -0.549 6.984
-2 1 1 3.356 -3.585 0.219
-1 1 1 42.588 43.501 0.180
0 1 1 8.958 -8.495 0.101
1 1 1 26.173 28.300 0.212
2 1 1 11.725 11.187 0.157
3 1 1 18.864 -20.306 0.188
4 1 1 28.167 28.670 0.287
5 1 1 1.370 1.801 1.724
6 1 1 10.676 11.116 0.317
7 1 1 1.992 -0.609 0.863
8 1 1 4.330 -4.294 0.554
9 1 1 0.000 -0.384 10.129
-10 1 2 4.469 -3.112 0.587
-9 1 2 8.418 -8.569 0.438
-8 1 2 1.698 -0.317 1.470
-7 1 2 0.000 -1.375 9.933
-6 1 2 3.720 3.328 0.359
-5 1 2 0.000 0.247 9.933
-4 1 2 14.889 -14.516 0.193
-3 1 2 26.634 27.591 0.257
-2 1 2 27.569 28.105 0.249
-1 1 2 151.002 123.080 0.245
0 1 2 30.672 -27.674 0.222
1 1 2 138.748 129.230 0.277
2 1 2 82.551 -83.715 0.307
3 1 2 44.690 45.123 0.344
4 1 2 18.230 -19.337 0.223
5 1 2 12.111 13.228 0.260
6 1 2 12.122 -12.302 0.301
7 1 2 13.037 -12.457 0.328
8 1 2 2.183 -1.409 1.968
9 1 2 0.000 1.402 10.129
-10 1 3 0.000 0.484 10.148
-9 1 3 2.060 0.190 0.822
-8 1 3 1.950 -0.701 1.421
-7 1 3 2.880 3.009 0.625
-6 1 3 9.458 9.297 0.265
-5 1 3 5.613 5.618 0.280
-4 1 3 22.019 -22.389 0.215
-3 1 3 0.000 -2.600 8.322
-2 1 3 14.251 13.244 0.160
-1 1 3 24.529 -21.439 0.235
0 1 3 54.932 -49.004 0.277
1 1 3 45.301 -43.733 0.301
2 1 3 12.504 -11.444 0.194
3 1 3 7.941 -7.692 0.238
4 1 3 18.229 17.488 0.234
5 1 3 1.661 1.421 0.803
6 1 3 2.116 1.928 1.140
7 1 3 2.002 0.677 0.859
8 1 3 0.000 -0.770 10.148
-10 1 4 2.299 -2.640 1.949
-9 1 4 0.000 -0.964 10.118
-8 1 4 2.576 2.735 0.802
-7 1 4 15.669 15.126 0.297
-6 1 4 13.428 13.369 0.260
-5 1 4 18.465 -17.221 0.222
-4 1 4 14.908 14.891 0.201
-3 1 4 0.000 1.510 7.408
-2 1 4 27.396 25.396 0.275
-1 1 4 61.702 -52.098 0.319
0 1 4 20.855 19.225 0.213
1 1 4 46.815 -43.388 0.334
2 1 4 14.451 -15.022 0.210
3 1 4 9.642 9.575 0.254
4 1 4 1.184 -3.234 2.093
5 1 4 12.075 -12.340 0.306
6 1 4 0.000 -0.656 9.960
7 1 4 3.310 0.836 0.554
8 1 4 2.256 0.451 0.983
-10 1 5 3.298 2.011 0.814
-9 1 5 3.705 -4.000 0.690
-8 1 5 0.000 -2.012 9.944
-7 1 5 4.436 -4.374 0.440
-6 1 5 1.872 -2.708 1.438
-5 1 5 9.978 -9.621 0.251
-4 1 5 2.320 -2.326 0.525
-3 1 5 12.346 -10.845 0.206
-2 1 5 12.490 10.967 0.200
-1 1 5 25.564 -21.370 0.263
0 1 5 20.754 19.036 0.210
1 1 5 47.073 45.568 0.377
2 1 5 0.000 0.616 9.590
3 1 5 6.687 -7.276 0.302
4 1 5 11.588 -12.592 0.305
5 1 5 0.000 0.793 9.944
6 1 5 0.000 -0.558 10.111
7 1 5 4.309 3.813 0.550
-10 1 6 10.869 10.293 0.430
-9 1 6 4.219 4.631 0.632
-8 1 6 20.298 19.544 0.317
-7 1 6 12.355 12.626 0.308
-6 1 6 9.316 9.271 0.295
-5 1 6 19.937 18.681 0.241
-4 1 6 14.468 13.116 0.236
-3 1 6 21.620 -18.860 0.233
-2 1 6 1.726 2.118 1.220
-1 1 6 39.779 -34.250 0.387
0 1 6 28.476 -24.658 0.281
1 1 6 48.153 -44.855 0.417
2 1 6 5.033 -4.280 0.324
3 1 6 1.753 -0.775 1.580
4 1 6 0.940 -2.258 4.018
5 1 6 7.918 -7.834 0.394
6 1 6 2.455 0.474 1.322
7 1 6 6.628 -6.420 0.590
-10 1 7 5.830 5.947 0.578
-9 1 7 1.625 2.948 1.591
-8 1 7 7.937 -7.319 0.374
-7 1 7 5.367 4.846 0.408
-6 1 7 4.556 5.275 0.442
-5 1 7 15.414 15.361 0.252
-4 1 7 16.998 16.025 0.247
-3 1 7 10.393 -9.259 0.241
-2 1 7 2.218 -3.993 0.491
-1 1 7 0.000 -0.257 9.940
0 1 7 8.537 -7.399 0.282
1 1 7 5.154 5.425 0.377
2 1 7 0.000 -2.991 9.940
3 1 7 1.321 0.132 2.335
4 1 7 3.934 2.881 0.415
5 1 7 0.000 -0.125 10.041
6 1 7 2.796 0.678 1.510
-10 1 8 5.819 5.462 0.611
-9 1 8 2.700 -3.356 1.653
-8 1 8 8.862 8.471 0.396
-7 1 8 14.621 -14.928 0.316
-6 1 8 4.455 -4.548 0.497
-5 1 8 0.000 1.699 9.940
-4 1 8 1.201 -0.930 2.124
-3 1 8 10.269 -9.808 0.279
-2 1 8 1.848 -3.857 1.267
-1 1 8 6.606 -6.190 0.303
0 1 8 10.672 -10.425 0.290
1 1 8 17.650 17.363 0.285
2 1 8 14.466 -14.837 0.316
3 1 8 2.242 0.978 1.435
4 1 8 7.255 -8.267 0.432
5 1 8 0.000 1.105 10.041
6 1 8 1.195 -3.301 4.432
-10 1 9 2.362 -0.564 2.248
-9 1 9 2.500 -1.136 1.601
-8 1 9 3.872 -4.414 0.688
-7 1 9 4.320 4.814 0.562
-6 1 9 5.650 -5.259 0.410
-5 1 9 8.377 -8.677 0.346
-4 1 9 9.127 7.866 0.316
-3 1 9 4.452 4.136 0.474
-2 1 9 0.000 -0.990 9.968
-1 1 9 4.773 4.814 0.440
0 1 9 2.071 -1.934 0.802
1 1 9 0.000 2.021 9.968
2 1 9 3.669 3.491 0.569
3 1 9 2.361 -2.739 1.512
4 1 9 3.123 1.553 0.825
5 1 9 1.176 -2.425 4.116
-9 1 10 7.269 -8.084 0.518
-8 1 10 4.445 -5.834 0.670
-7 1 10 2.963 -5.171 1.776
-6 1 10 9.190 -9.394 0.363
-5 1 10 6.424 -7.156 0.438
-4 1 10 0.000 1.782 9.990
-3 1 10 5.434 -5.223 0.409
-2 1 10 6.984 -7.091 0.438
-1 1 10 1.368 -1.647 2.693
0 1 10 2.144 -2.625 0.998
1 1 10 0.000 0.672 9.976
2 1 10 7.994 -7.674 0.404
3 1 10 0.000 -0.354 9.976
4 1 10 2.875 -2.912 1.761
-9 1 11 0.000 -0.214 9.987
-8 1 11 0.000 -1.944 9.987
-7 1 11 3.468 -2.280 0.695
-6 1 11 6.336 -6.720 0.460
-5 1 11 15.352 -16.033 0.362
-4 1 11 5.832 -6.906 0.513
-3 1 11 3.400 -2.161 0.529
-2 1 11 8.697 -8.543 0.404
-1 1 11 0.000 -0.923 9.991
0 1 11 5.559 -5.370 0.463
1 1 11 4.331 -5.465 0.725
2 1 11 1.963 0.376 2.195
3 1 11 1.254 1.061 2.202
-8 1 12 3.375 2.360 0.933
-7 1 12 0.697 -1.660 4.194
-6 1 12 3.715 4.387 0.788
-5 1 12 12.395 11.989 0.396
-4 1 12 0.000 -0.060 10.006
-3 1 12 13.582 -14.134 0.382
-2 1 12 14.402 -14.130 0.378
-1 1 12 11.442 11.853 0.411
0 1 12 1.945 1.366 1.166
1 1 12 6.724 7.526 0.518
-7 1 13 0.000 4.458 10.042
-6 1 13 2.851 3.222 0.968
-5 1 13 5.393 6.175 0.622
-4 1 13 7.854 7.871 0.531
-3 1 13 5.621 5.796 0.693
-2 1 13 4.664 -4.728 0.679
-1 1 13 2.018 0.023 1.932
0 1 13 2.067 3.025 2.151
0 2 0 146.230 -169.223 0.763
1 2 0 11.397 11.899 0.222
2 2 0 125.830 -126.729 3.113
3 2 0 7.444 -8.008 0.139
4 2 0 20.501 -20.424 0.145
5 2 0 7.500 7.845 0.396
6 2 0 3.197 -3.773 0.635
7 2 0 3.780 3.717 0.368
8 2 0 12.143 12.693 0.369
9 2 0 4.104 3.925 0.680
-10 2 1 1.188 -0.260 3.612
-9 2 1 1.558 -2.092 2.754
-8 2 1 10.923 -10.654 0.352
-7 2 1 3.503 -2.851 0.500
-6 2 1 11.031 -10.333 0.261
-5 2 1 17.161 -17.508 0.222
-4 2 1 0.000 -2.525 7.861
-3 2 1 15.017 15.704 0.167
-2 2 1 93.990 -96.994 0.258
-1 2 1 50.740 51.740 0.199
0 2 1 22.607 -22.489 0.182
1 2 1 145.781 -140.966 0.934
2 2 1 66.722 70.318 0.279
3 2 1 24.980 -25.283 0.254
4 2 1 12.928 -12.920 0.216
5 2 1 3.846 -3.955 0.352
6 2 1 6.410 -6.943 0.369
7 2 1 13.072 -12.784 0.330
8 2 1 4.634 4.851 0.522
9 2 1 0.000 -1.588 10.129
-10 2 2 0.000 0.024 10.129
-9 2 2 4.299 3.847 0.511
-8 2 2 4.816 4.448 0.485
-7 2 2 1.805 0.034 0.714
-6 2 2 11.622 -11.477 0.265
-5 2 2 42.297 -43.415 0.395
-4 2 2 1.610 -1.199 1.039
-3 2 2 20.253 21.777 0.198
-2 2 2 39.406 39.300 0.258
-1 2 2 61.952 -57.496 0.232
0 2 2 72.786 -67.991 0.236
1 2 2 2.397 2.575 0.309
2 2 2 0.900 0.627 0.842
3 2 2 23.744 23.914 0.235
4 2 2 11.912 12.131 0.237
5 2 2 16.923 -16.978 0.256
6 2 2 3.562 -3.343 0.558
7 2 2 3.956 4.323 0.611
8 2 2 2.188 1.902 1.972
9 2 2 0.000 -2.144 10.129
-10 2 3 4.085 3.483 0.837
-9 2 3 0.000 -0.332 10.148
-8 2 3 0.000 0.477 9.960
-7 2 3 1.557 -2.290 1.621
-6 2 3 7.868 8.506 0.280
-5 2 3 36.186 -35.037 0.336
-4 2 3 9.284 11.052 0.206
-3 2 3 20.485 -20.526 0.209
-2 2 3 10.664 -10.482 0.168
-1 2 3 28.166 25.068 0.278
0 2 3 7.518 -7.898 0.169
1 2 3 51.049 -49.948 0.302
2 2 3 22.118 21.643 0.220
3 2 3 25.696 26.176 0.251
4 2 3 20.843 -21.235 0.233
5 2 3 12.377 12.866 0.298
6 2 3 14.697 -14.846 0.310
7 2 3 5.414 -5.780 0.486
8 2 3 0.000 -1.879 10.148
-10 2 4 2.821 -2.410 1.524
-9 2 4 8.203 -7.969 0.417
-8 2 4 3.139 -3.133 0.557
-7 2 4 8.108 -8.094 0.328
-6 2 4 24.667 -24.542 0.247
-5 2 4 11.495 -11.885 0.234
-4 2 4 14.401 14.126 0.207
-3 2 4 17.649 -16.527 0.188
-2 2 4 1.868 2.395 0.961
-1 2 4 9.492 7.738 0.191
0 2 4 10.005 9.444 0.189
1 2 4 1.435 0.111 0.919
2 2 4 46.852 44.277 0.368
3 2 4 3.371 4.502 0.450
4 2 4 13.379 15.331 0.261
5 2 4 21.415 -22.214 0.294
6 2 4 10.580 10.694 0.337
7 2 4 1.086 -0.514 2.714
8 2 4 3.088 5.070 1.884
-10 2 5 1.992 -1.965 2.371
-9 2 5 6.492 5.560 0.476
-8 2 5 6.119 -5.135 0.413
-7 2 5 7.249 6.974 0.338
-6 2 5 5.126 5.161 0.323
-5 2 5 12.185 -11.087 0.235
-4 2 5 3.396 4.212 0.348
-3 2 5 4.333 3.838 0.276
-2 2 5 11.386 9.519 0.198
-1 2 5 51.704 44.658 0.348
0 2 5 19.094 17.061 0.200
1 2 5 7.301 -6.508 0.256
2 2 5 4.844 4.903 0.312
3 2 5 9.360 10.161 0.264
4 2 5 12.431 13.118 0.304
5 2 5 24.325 24.405 0.298
6 2 5 11.743 12.150 0.363
7 2 5 4.090 3.616 0.669
-10 2 6 4.583 4.588 0.707
-9 2 6 6.172 -5.437 0.452
-8 2 6 9.342 9.983 0.368
-7 2 6 12.231 -12.498 0.316
-6 2 6 1.319 -2.863 1.157
-5 2 6 14.462 14.259 0.250
-4 2 6 3.146 2.422 0.348
-3 2 6 0.000 -1.167 9.950
-2 2 6 18.512 -16.599 0.215
-1 2 6 10.357 9.813 0.228
0 2 6 34.382 -32.187 0.340
1 2 6 25.602 25.231 0.260
2 2 6 12.655 -12.093 0.258
3 2 6 9.313 -9.090 0.294
4 2 6 2.245 -2.386 0.822
5 2 6 0.000 1.597 10.111
6 2 6 3.436 3.784 0.765
7 2 6 2.881 0.570 0.900
-10 2 7 8.169 -7.514 0.465
-9 2 7 0.000 -1.374 10.041
-8 2 7 13.583 -13.681 0.337
-7 2 7 2.943 2.700 0.619
-6 2 7 5.419 6.141 0.390
-5 2 7 3.027 3.100 0.432
-4 2 7 14.495 -14.369 0.259
-3 2 7 12.143 -11.773 0.248
-2 2 7 18.846 -16.826 0.239
-1 2 7 13.458 12.397 0.247
0 2 7 2.357 -1.142 0.525
1 2 7 2.506 -2.609 0.596
2 2 7 9.487 10.501 0.312
3 2 7 12.650 -13.475 0.309
4 2 7 1.007 -0.977 2.117
5 2 7 2.400 -4.336 1.935
6 2 7 0.000 1.062 10.041
-10 2 8 5.124 5.566 0.743
-9 2 8 1.561 0.050 2.589
-8 2 8 4.924 4.572 0.518
-7 2 8 5.983 6.274 0.439
-6 2 8 0.000 1.764 9.940
-5 2 8 7.090 7.303 0.328
-4 2 8 6.623 -6.821 0.306
-3 2 8 12.077 -11.185 0.256
-2 2 8 18.643 -17.344 0.261
-1 2 8 7.927 -8.080 0.282
0 2 8 1.726 -2.894 1.881
1 2 8 5.980 6.173 0.374
2 2 8 6.907 -7.351 0.367
3 2 8 3.433 2.560 0.611
4 2 8 0.000 1.821 10.041
5 2 8 2.586 0.232 0.826
6 2 8 0.000 -0.276 10.041
-10 2 9 0.000 1.413 9.969
-9 2 9 0.000 -1.667 9.969
-8 2 9 0.000 0.556 9.969
-7 2 9 4.850 -4.934 0.534
-6 2 9 6.746 6.674 0.385
-5 2 9 8.556 8.539 0.339
-4 2 9 9.625 9.566 0.318
-3 2 9 0.000 0.443 9.968
-2 2 9 1.262 0.041 1.785
-1 2 9 8.459 7.543 0.344
0 2 9 2.146 2.278 0.710
1 2 9 0.000 0.340 9.968
2 2 9 2.601 2.766 0.817
3 2 9 6.665 -7.781 0.479
4 2 9 5.377 -4.575 0.535
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