>Phase no.: 1 4,4'-difluorobe 114 reflections, N&T: 0 293.00 Code h k l Mult D(A) 2T HW Iobs Icalc io-ic 1 0 0 1 2 11.366069 3.529 0.001 0.1 0.0 0.1 1 2 0 -1 2 6.659104 6.026 0.008 2.0 2.0 0.0 1 1 1 0 4 6.401457 6.268 0.009 3.9 3.9 0.0 1 2 0 0 2 6.294617 6.375 0.009 1.8 1.7 0.0 1 0 1 1 4 6.221624 6.450 0.009 26.9 26.7 0.3 1 1 1 -1 4 6.093748 6.585 0.009 127.7 126.6 1.1 1 0 0 2 2 5.683034 7.062 0.010 8.7 8.7 0.1 1 2 0 -2 2 5.319054 7.546 0.010 4.0 3.9 0.0 1 1 1 1 4 5.173810 7.758 0.011 2.5 2.4 0.0 1 2 1 -1 4 4.960200 8.092 0.011 18.5 18.3 0.2 1 2 1 0 4 4.803934 8.356 0.011 14.8 14.7 0.0 1 2 0 1 2 4.799768 8.363 0.011 26.3 26.0 0.3 1 1 1 -2 4 4.717309 8.510 0.011 1.3 1.3 0.0 1 0 1 2 4 4.514956 8.892 0.012 20.3 20.0 0.2 1 2 1 -2 4 4.325859 9.282 0.012 148.1 146.6 1.6 1 2 1 1 4 4.032378 9.959 0.012 25.2 24.9 0.2 1 2 0 -3 2 3.964611 10.129 0.012 0.2 0.2 0.0 1 1 1 2 4 3.898595 10.301 0.012 2.4 2.4 0.0 1 3 1 -1 4 3.863957 10.394 0.013 10.7 10.6 0.1 1 0 0 3 2 3.788690 10.601 0.013 1.7 1.6 0.0 1 0 2 0 2 3.717153 10.806 0.013 24.6 24.4 0.3 1 3 1 -2 4 3.662275 10.968 0.013 2.5 2.4 0.0 1 3 1 0 4 3.654416 10.992 0.013 12.9 12.8 0.2 1 2 0 2 2 3.602418 11.151 0.013 1.6 1.6 0.0 1 1 1 -3 4 3.570809 11.250 0.013 2.9 2.8 0.0 1 1 2 0 4 3.565000 11.268 0.013 24.8 24.5 0.3 1 0 2 1 4 3.533015 11.371 0.013 1.0 1.0 0.0 1 1 2 -1 4 3.509101 11.448 0.013 29.6 29.3 0.4 1 2 1 -3 4 3.498255 11.484 0.013 3.9 3.9 0.0 1 0 1 3 4 3.375615 11.903 0.013 33.3 33.4 -0.1 1 4 0 -1 2 3.374100 11.908 0.013 64.0 62.8 1.2 1 4 0 -2 2 3.329552 12.068 0.013 20.6 20.4 0.2 1 1 2 1 4 3.303414 12.164 0.013 1.3 1.3 0.0 1 2 2 -1 4 3.245717 12.381 0.013 25.1 24.9 0.2 1 2 1 2 4 3.241864 12.396 0.013 4.6 4.5 0.1 1 2 2 0 4 3.200728 12.556 0.013 6.9 6.9 0.1 1 3 1 -3 4 3.200591 12.556 0.013 8.1 8.1 0.1 1 3 1 1 4 3.190117 12.598 0.013 6.5 6.4 0.0 1 1 2 -2 4 3.174718 12.659 0.013 42.7 42.2 0.5 1 4 0 0 2 3.147309 12.770 0.013 37.4 37.0 0.4 1 0 2 2 4 3.110812 12.920 0.014 0.4 0.4 0.0 1 4 1 -1 4 3.072466 13.082 0.014 0.1 0.1 0.0 1 2 0 -4 2 3.051709 13.171 0.014 2.1 2.1 0.0 1 2 2 -2 4 3.046874 13.192 0.014 24.7 24.5 0.2 1 4 0 -3 2 3.042169 13.213 0.014 5.4 5.3 0.1 1 4 1 -2 4 3.038715 13.228 0.014 3.3 3.3 0.0 1 1 1 3 4 3.019082 13.314 0.014 0.4 0.4 0.0 1 2 2 1 4 2.938884 13.679 0.014 2.2 2.2 0.0 1 4 1 0 4 2.898285 13.872 0.014 3.1 3.1 0.0 1 1 2 2 4 2.885865 13.932 0.014 1.4 1.4 0.0 1 3 2 -1 4 2.871731 14.001 0.014 0.4 0.4 0.0 1 0 0 4 2 2.841517 14.151 0.014 6.7 6.6 0.1 1 2 1 -4 4 2.823113 14.243 0.014 6.7 6.7 0.0 1 4 1 -3 4 2.815556 14.282 0.014 10.3 10.1 0.2 1 2 0 3 2 2.815078 14.284 0.014 3.4 3.4 0.0 1 1 1 -4 4 2.801681 14.353 0.014 0.4 0.4 0.0 1 3 2 -2 4 2.785972 14.434 0.014 0.9 0.9 0.0 1 3 2 0 4 2.782507 14.452 0.014 1.5 1.5 0.0 1 4 0 1 2 2.778314 14.474 0.014 1.6 1.6 0.0 1 1 2 -3 4 2.745065 14.650 0.014 2.0 2.0 0.0 1 2 2 -3 4 2.711689 14.832 0.014 3.4 3.3 0.0 1 3 1 -4 4 2.710006 14.841 0.014 1.6 1.5 0.0 1 3 1 2 4 2.700472 14.894 0.014 0.9 0.9 0.0 1 4 0 -4 2 2.659527 15.124 0.014 4.8 4.8 0.0 1 0 1 4 4 2.654245 15.155 0.014 6.6 6.5 0.1 1 0 2 3 4 2.653354 15.160 0.014 1.3 1.3 0.0 1 2 1 3 4 2.632658 15.280 0.014 5.3 5.3 0.1 1 4 1 1 4 2.602514 15.458 0.014 3.1 3.0 0.0 1 2 2 2 4 2.586905 15.552 0.014 2.6 2.6 0.0 1 3 2 -3 4 2.565788 15.680 0.014 0.8 0.8 0.0 1 3 2 1 4 2.560382 15.714 0.014 0.9 0.9 0.0 1 5 1 -2 4 2.542823 15.823 0.014 3.0 3.0 0.0 1 5 1 -1 4 2.519731 15.969 0.014 1.4 1.3 0.0 1 4 1 -4 4 2.504116 16.069 0.014 1.1 1.1 0.0 1 4 2 -1 4 2.498347 16.106 0.014 7.1 7.0 0.1 1 4 2 -2 4 2.480100 16.226 0.014 0.6 0.6 0.0 1 1 2 3 4 2.469391 16.297 0.014 3.1 3.1 0.0 1 2 0 -5 2 2.449863 16.427 0.014 5.1 5.1 0.1 1 5 1 -3 4 2.444923 16.461 0.014 0.5 0.5 0.0 1 1 1 4 4 2.431732 16.551 0.014 3.8 3.7 0.0 1 1 3 0 4 2.431444 16.553 0.014 4.3 4.2 0.1 1 0 3 1 4 2.421223 16.623 0.014 1.8 1.8 0.0 1 1 3 -1 4 2.413485 16.677 0.014 2.5 2.5 0.0 1 4 2 0 4 2.401967 16.757 0.014 1.0 1.0 0.0 1 4 0 2 2 2.399884 16.772 0.014 3.4 3.3 0.1 1 5 1 0 4 2.384787 16.879 0.014 1.2 1.2 0.0 1 2 2 -4 4 2.358654 17.067 0.014 1.3 1.3 0.0 1 4 2 -3 4 2.354241 17.099 0.014 0.8 0.8 0.0 1 1 2 -4 4 2.346112 17.159 0.014 8.1 8.0 0.1 1 1 3 1 4 2.343364 17.179 0.014 1.1 1.0 0.0 1 2 1 -5 4 2.326782 17.303 0.014 0.1 0.1 0.0 1 2 3 -1 4 2.322498 17.335 0.014 2.0 2.0 0.0 1 2 3 0 4 2.305846 17.461 0.014 2.2 2.2 0.0 1 1 3 -2 4 2.296064 17.536 0.014 0.1 0.1 0.0 1 3 1 -5 4 2.293027 17.560 0.014 0.4 0.4 0.0 1 4 0 -5 2 2.293003 17.560 0.014 0.2 0.2 0.0 1 3 2 -4 4 2.291487 17.571 0.014 0.4 0.4 0.0 1 2 0 4 2 2.289337 17.588 0.014 0.3 0.3 0.0 1 3 2 2 4 2.285714 17.616 0.014 0.5 0.5 0.0 1 3 1 3 4 2.285325 17.619 0.014 0.4 0.4 0.0 1 4 1 2 4 2.283835 17.631 0.014 1.4 1.4 0.0 1 1 1 -5 4 2.283068 17.637 0.014 4.5 4.4 0.1 1 0 0 5 2 2.273214 17.714 0.014 0.0 0.0 0.0 1 0 3 2 4 2.271537 17.727 0.014 0.1 0.1 0.0 1 5 1 -4 4 2.262207 17.801 0.014 0.5 0.5 0.0 1 6 0 -2 2 2.261422 17.807 0.014 1.4 1.4 0.0 1 0 2 4 4 2.257478 17.838 0.014 1.5 1.5 0.0 1 2 3 -2 4 2.246281 17.928 0.014 1.4 1.4 0.0 1 2 2 3 4 2.244152 17.945 0.014 0.5 0.5 0.0 1 4 2 1 4 2.225392 18.098 0.014 1.1 1.1 0.0 1 6 0 -3 2 2.219702 18.144 0.014 2.6 2.5 0.0 1 6 0 -1 2 2.216199 18.173 0.014 1.0 1.0 0.0 1 2 3 1 4 2.201942 18.292 0.014 0.8 0.7 0.0 1 4 1 -5 4 2.191146 18.383 0.014 3.6 3.1 0.6