+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXL-97 - CRYSTAL STRUCTURE REFINEMENT - WinGX VERSION + + Copyright(C) George M. Sheldrick 1993-7 Release 97-2 + + shelxl started at 12:05:48 on 31-Mar-2009 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 2008lsh053 in C2/c CELL 0.71073 27.0970 4.5781 9.9007 90.000 96.281 90.000 ZERR 4.00 0.0055 0.0007 0.0019 0.000 0.008 0.000 LATT 7 SYMM - X, Y, 1/2 - Z SFAC C H N O CL UNIT 52 40 8 4 8 V = 1220.84 F(000) = 576.0 Mu = 0.52 mm-1 Cell Wt = 1124.52 Rho = 1.530 MERG 2 OMIT -3.00 55.00 FMAP 2 PLAN 5 ACTA SIZE 0.3 0.12 0.01 EQIV $1 x, y+1, z HTAB N1 O1_$1 HTAB BOND $H DFIX 0.88 0.02 N1 H1N L.S. 6 TEMP -153.00 WGHT 0.049200 8.136200 FVAR 0.35796 C1 1 0.076826 0.391374 0.904065 11.00000 0.03015 0.02456 = 0.03196 -0.00242 0.00169 -0.00115 C2 1 0.068989 0.185061 1.001608 11.00000 0.03118 0.02728 = 0.03724 -0.00163 0.00409 -0.00262 AFIX 43 H2 2 0.036066 0.127536 1.013599 11.00000 -1.20000 AFIX 0 C3 1 0.108609 0.061456 1.081970 11.00000 0.03855 0.02886 = 0.03434 0.00247 0.00368 -0.00338 AFIX 43 H3 2 0.103278 -0.084595 1.146975 11.00000 -1.20000 AFIX 0 C4 1 0.156450 0.156005 1.065382 11.00000 0.03339 0.02882 = 0.02838 -0.00080 -0.00309 -0.00061 C5 1 0.164685 0.364824 0.970284 11.00000 0.02873 0.03581 = 0.03738 -0.00114 0.00280 -0.00415 AFIX 43 H5 2 0.197517 0.427507 0.960387 11.00000 -1.20000 AFIX 0 C6 1 0.124691 0.482879 0.889092 11.00000 0.03598 0.02870 = 0.03543 0.00397 0.00208 -0.00267 AFIX 43 H6 2 0.130095 0.626672 0.823109 11.00000 -1.20000 AFIX 0 C7 1 0.000000 0.358488 0.750000 10.50000 0.03170 0.02153 = 0.03700 0.00000 0.00329 0.00000 N1 3 0.036122 0.518404 0.822159 11.00000 0.03371 0.01837 = 0.04306 -0.00021 -0.00254 -0.00123 O1 4 0.000000 0.089344 0.750000 10.50000 0.03654 0.01984 = 0.03911 0.00000 -0.00522 0.00000 CL1 5 0.206567 0.005905 1.167647 11.00000 0.03633 0.04338 = 0.04367 0.00653 -0.00617 0.00211 H1N 2 0.036536 0.705718 0.805618 11.00000 0.05085 HKLF 4 Covalent radii and connectivity table for 2008lsh053 in C2/c C 0.770 H 0.320 N 0.700 O 0.660 CL 0.990 C1 - C2 C6 N1 C2 - C1 C3 C3 - C2 C4 C4 - C5 C3 Cl1 C5 - C4 C6 C6 - C1 C5 C7 - O1 N1 N1_$2 N1 - C7 C1 O1 - C7 Cl1 - C4 Operators for generating equivalent atoms: $1 x, y+1, z $2 -x, y, -z+3/2 h k l Fo^2 Sigma Why rejected -34 0 1 32.71 6.67 observed but should be systematically absent 26 0 5 23.70 5.40 observed but should be systematically absent -14 0 7 13.50 2.69 observed but should be systematically absent -14 0 7 16.18 2.39 observed but should be systematically absent 9376 Reflections read, of which 546 rejected -34 =< h =< 34, -5 =< k =< 5, -12 =< l =< 12, Max. 2-theta = 55.00 4 Systematic absence violations 0 Inconsistent equivalents 1391 Unique reflections, of which 0 suppressed R(int) = 0.0559 R(sigma) = 0.0438 Friedel opposites merged Maximum memory for data reduction = 1075 / 16269 Special position constraints for C7 x = 0.0000 z = 0.7500 U23 = 0 U12 = 0 sof = 0.50000 Input constraints retained (at least in part) for sof Special position constraints for O1 x = 0.0000 z = 0.7500 U23 = 0 U12 = 0 sof = 0.50000 Input constraints retained (at least in part) for sof Default effective X-H distances for T = -153.0 C AFIX m = 1 2 3 4 4[N] 3[N] 15[B] 8[O] 9 9[N] 16 d(X-H) = 1.00 0.99 0.98 0.95 0.88 0.91 1.12 0.84 0.95 0.88 0.95 Note that these distances are chosen to give the best fit to the X-ray data and so avoid the introduction of systematic error. The true internuclear distances are longer and do not vary with temperature ! The apparent variation with temperature is caused by libration. Least-squares cycle 1 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1776 before cycle 1 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 1 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.007 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.108; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35706 0.00163 -0.553 OSF Mean shift/esd = 0.035 Maximum = -0.553 for OSF Max. shift = 0.001 A for H1N Max. dU = 0.000 for H1N Least-squares cycle 2 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1774 before cycle 2 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 2 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.106 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35689 0.00163 -0.104 OSF Mean shift/esd = 0.011 Maximum = -0.104 for OSF Max. shift = 0.000 A for H1N Max. dU = 0.000 for H1N Least-squares cycle 3 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1774 before cycle 3 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 3 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35688 0.00163 -0.001 OSF Mean shift/esd = 0.000 Maximum = -0.002 for z H1N Max. shift = 0.000 A for H1N Max. dU = 0.000 for C2 Least-squares cycle 4 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1774 before cycle 4 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 4 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35688 0.00163 0.000 OSF Mean shift/esd = 0.000 Maximum = 0.001 for U13 Cl1 Max. shift = 0.000 A for H1N Max. dU = 0.000 for C7 Least-squares cycle 5 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1774 before cycle 5 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 5 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35688 0.00163 0.000 OSF Mean shift/esd = 0.000 Maximum = 0.000 for z Cl1 Max. shift = 0.000 A for H1N Max. dU = 0.000 for H1N Least-squares cycle 6 Maximum vector length = 511 Memory required = 1312 / 116933 wR2 = 0.1774 before cycle 6 for 1391 data and 87 / 87 parameters Summary of restraints applied in cycle 6 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.35688 0.00163 0.000 OSF Mean shift/esd = 0.000 Maximum = 0.000 for z Cl1 Max. shift = 0.000 A for C5 Max. dU = 0.000 for H1N No correlation matrix elements larger than 0.500 Idealized hydrogen atom generation before cycle 7 Name x y z AFIX d(X-H) shift Bonded to Conformation determined by H2 0.0361 0.1276 1.0136 43 0.950 0.000 C2 C1 C3 H3 0.1033 -0.0846 1.1470 43 0.950 0.000 C3 C2 C4 H5 0.1975 0.4275 0.9604 43 0.950 0.000 C5 C4 C6 H6 0.1301 0.6267 0.8231 43 0.950 0.000 C6 C1 C5 2008lsh053 in C2/c ATOM x y z sof U11 U22 U33 U23 U13 U12 Ueq C1 0.07683 0.39136 0.90407 1.00000 0.03002 0.02440 0.03186 -0.00241 0.00166 -0.00115 0.02889 0.00670 0.00014 0.00083 0.00038 0.00000 0.00200 0.00181 0.00193 0.00146 0.00157 0.00148 0.00082 C2 0.06899 0.18507 1.00162 1.00000 0.03105 0.02712 0.03707 -0.00160 0.00407 -0.00261 0.03172 0.00695 0.00015 0.00084 0.00039 0.00000 0.00203 0.00190 0.00205 0.00158 0.00164 0.00156 0.00085 H2 0.03606 0.12756 1.01362 1.00000 0.03807 0.00000 0.00000 C3 0.10861 0.06148 1.08197 1.00000 0.03841 0.02873 0.03419 0.00247 0.00366 -0.00337 0.03380 0.00716 0.00015 0.00086 0.00040 0.00000 0.00222 0.00199 0.00201 0.00158 0.00170 0.00163 0.00089 H3 0.10327 -0.08456 1.14698 1.00000 0.04056 0.00000 0.00000 C4 0.15645 0.15602 1.06538 1.00000 0.03323 0.02869 0.02825 -0.00079 -0.00310 -0.00061 0.03053 0.00668 0.00015 0.00084 0.00037 0.00000 0.00208 0.00198 0.00185 0.00151 0.00156 0.00157 0.00085 C5 0.16469 0.36482 0.97028 1.00000 0.02857 0.03565 0.03724 -0.00112 0.00276 -0.00413 0.03388 0.00715 0.00015 0.00089 0.00040 0.00000 0.00203 0.00212 0.00209 0.00168 0.00167 0.00166 0.00090 H5 0.19752 0.42748 0.96038 1.00000 0.04066 0.00000 0.00000 C6 0.12469 0.48288 0.88908 1.00000 0.03583 0.02858 0.03532 0.00397 0.00205 -0.00268 0.03338 0.00703 0.00015 0.00087 0.00040 0.00000 0.00211 0.00195 0.00198 0.00161 0.00162 0.00167 0.00086 H6 0.13010 0.62667 0.82310 1.00000 0.04005 0.00000 0.00000 C7 0.00000 0.35849 0.75000 0.50000 0.03154 0.02141 0.03685 0.00000 0.00325 0.00000 0.02997 0.00516 0.00000 0.00113 0.00000 0.00000 0.00292 0.00257 0.00290 0.00000 0.00231 0.00000 0.00116 N1 0.03612 0.51844 0.82216 1.00000 0.03356 0.01825 0.04292 -0.00020 -0.00258 -0.00125 0.03207 0.00579 0.00013 0.00068 0.00036 0.00000 0.00173 0.00153 0.00184 0.00137 0.00142 0.00137 0.00074 O1 0.00000 0.08936 0.75000 0.50000 0.03640 0.01966 0.03898 0.00000 -0.00521 0.00000 0.03237 0.00357 0.00000 0.00078 0.00000 0.00000 0.00220 0.00179 0.00212 0.00000 0.00170 0.00000 0.00089 Cl1 0.20657 0.00591 1.16765 1.00000 0.03618 0.04322 0.04352 0.00653 -0.00618 0.00210 0.04175 0.00192 0.00004 0.00024 0.00011 0.00000 0.00057 0.00061 0.00060 0.00046 0.00041 0.00046 0.00035 H1N 0.03660 0.70577 0.80560 1.00000 0.05045 0.07660 0.00178 0.00473 0.00461 0.00000 0.01396 Final Structure Factor Calculation for 2008lsh053 in C2/c Total number of l.s. parameters = 87 Maximum vector length = 511 Memory required = 1225 / 24017 wR2 = 0.1774 before cycle 7 for 1391 data and 0 / 87 parameters Summary of restraints applied in cycle 7 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 1. 0. 0. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.107; Restrained GooF = 1.107 for 1 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0492 * P )^2 + 8.14 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 R1 = 0.0714 for 1061 Fo > 4sig(Fo) and 0.0969 for all 1391 data wR2 = 0.1774, GooF = S = 1.107, Restrained GooF = 1.107 for all data Occupancy sum of asymmetric unit = 9.00 for non-hydrogen and 5.00 for hydrogen atoms Principal mean square atomic displacements U 0.0334 0.0299 0.0234 C1 0.0373 0.0321 0.0258 C2 0.0398 0.0348 0.0268 C3 0.0385 0.0289 0.0242 C4 0.0380 0.0370 0.0266 C5 0.0398 0.0340 0.0263 C6 0.0370 0.0315 0.0214 C7 0.0473 0.0308 0.0181 N1 0.0483 0.0292 0.0197 O1 0.0541 0.0432 0.0279 Cl1 Analysis of variance for reflections employed in refinement K = Mean[Fo^2] / Mean[Fc^2] for group Fc/Fc(max) 0.000 0.008 0.014 0.021 0.029 0.039 0.050 0.066 0.086 0.133 1.000 Number in group 149. 136. 139. 135. 146. 129. 142. 136. 139. 140. GooF 1.248 1.120 1.134 1.172 1.133 0.899 1.134 1.009 1.159 0.994 K 6.419 1.734 1.132 1.106 1.029 1.002 0.972 0.979 0.995 1.012 Resolution(A) 0.77 0.80 0.83 0.87 0.91 0.97 1.05 1.15 1.33 1.65 inf Number in group 139. 140. 141. 140. 136. 140. 138. 141. 136. 140. GooF 1.190 1.203 1.216 1.163 1.264 1.141 1.271 0.859 0.798 0.818 K 1.044 1.077 1.055 1.030 1.052 1.030 1.037 1.032 1.022 0.986 R1 0.234 0.228 0.186 0.161 0.152 0.115 0.082 0.055 0.042 0.030 Recommended weighting scheme: WGHT 0.0491 8.0684 Note that in most cases convergence will be faster if fixed weights (e.g. the default WGHT 0.1) are retained until the refinement is virtually complete, and only then should the above recommended values be used. Most Disagreeable Reflections (* if suppressed or used for Rfree) h k l Fo^2 Fc^2 Delta(F^2)/esd Fc/Fc(max) Resolution(A) 17 1 5 298.93 53.05 5.21 0.025 1.14 12 0 8 554.31 1108.76 4.65 0.116 1.03 24 2 5 165.21 4.59 4.27 0.007 0.86 -9 1 8 519.49 956.76 4.25 0.108 1.15 -23 1 1 318.29 103.25 4.18 0.035 1.14 14 0 8 576.45 1072.33 4.11 0.114 0.99 12 2 8 172.37 391.36 3.64 0.069 0.94 -3 3 10 265.27 93.33 3.45 0.034 0.83 4 4 0 122.82 276.79 3.14 0.058 1.13 -16 0 8 6942.90 5535.94 3.11 0.259 1.05 -23 1 9 94.05 2.08 3.06 0.005 0.83 -2 4 6 66.00 0.16 3.02 0.001 0.94 -15 5 3 89.72 1.15 2.99 0.004 0.80 16 0 8 171.63 25.82 2.97 0.018 0.95 -6 4 2 458.75 711.68 2.83 0.093 1.09 -14 0 6 82.79 5.95 2.77 0.008 1.32 -2 4 4 46.98 2.27 2.75 0.005 1.04 7 1 10 105.26 230.50 2.70 0.053 0.91 24 2 7 140.81 34.77 2.70 0.021 0.78 -32 2 2 225.36 90.20 2.69 0.033 0.79 -24 4 4 114.85 256.68 2.68 0.056 0.78 -18 4 4 88.83 15.53 2.66 0.014 0.87 19 1 4 5750.11 4679.95 2.60 0.238 1.14 1 5 6 113.30 33.39 2.54 0.020 0.80 29 1 1 -19.03 29.42 2.52 0.019 0.90 23 3 0 112.67 29.29 2.47 0.019 0.93 13 1 10 67.10 167.86 2.47 0.045 0.84 -29 1 3 -19.92 27.91 2.46 0.018 0.90 24 0 4 237.11 80.03 2.46 0.031 0.98 31 1 4 245.11 417.42 2.45 0.071 0.78 -2 4 9 77.23 13.75 2.44 0.013 0.79 15 1 6 3126.17 2527.43 2.42 0.175 1.12 -3 1 12 224.52 111.01 2.42 0.037 0.81 -11 1 11 90.06 22.59 2.41 0.017 0.86 -5 3 10 364.81 213.91 2.38 0.051 0.83 9 3 10 158.90 283.47 2.35 0.059 0.78 -7 3 9 -3.30 45.89 2.34 0.024 0.88 -31 1 5 117.73 42.47 2.33 0.023 0.82 -24 4 1 167.71 68.67 2.30 0.029 0.80 23 3 4 213.17 365.73 2.30 0.067 0.85 24 2 3 59.93 0.23 2.28 0.002 0.94 16 0 4 7190.75 5960.81 2.27 0.269 1.32 -7 1 11 55.14 3.22 2.26 0.006 0.88 -6 2 9 7.68 57.99 2.26 0.026 0.98 -21 3 6 230.27 125.44 2.25 0.039 0.88 22 4 2 251.16 410.98 2.25 0.071 0.81 18 4 5 254.86 143.94 2.25 0.042 0.81 0 2 12 362.18 189.64 2.23 0.048 0.77 -13 3 8 118.15 50.55 2.22 0.025 0.90 11 3 8 136.89 250.34 2.22 0.055 0.87 Bond lengths and angles C1 - Distance Angles C2 1.3837 (0.0054) C6 1.3864 (0.0054) 119.86 (0.36) N1 1.4202 (0.0049) 120.61 (0.35) 119.50 (0.34) C1 - C2 C6 C2 - Distance Angles C1 1.3837 (0.0054) C3 1.3852 (0.0055) 120.74 (0.37) H2 0.9500 119.63 119.63 C2 - C1 C3 C3 - Distance Angles C2 1.3852 (0.0055) C4 1.3934 (0.0055) 118.56 (0.36) H3 0.9500 120.72 120.72 C3 - C2 C4 C4 - Distance Angles C5 1.3770 (0.0055) C3 1.3934 (0.0055) 121.25 (0.37) Cl1 1.7438 (0.0039) 119.76 (0.31) 118.99 (0.30) C4 - C5 C3 C5 - Distance Angles C4 1.3770 (0.0055) C6 1.3864 (0.0055) 119.48 (0.37) H5 0.9500 120.26 120.26 C5 - C4 C6 C6 - Distance Angles C1 1.3864 (0.0054) C5 1.3864 (0.0055) 120.08 (0.37) H6 0.9500 119.96 119.96 C6 - C1 C5 C7 - Distance Angles O1 1.2321 (0.0063) N1 1.3607 (0.0042) 122.56 (0.23) N1_$2 1.3607 (0.0042) 122.56 (0.23) 114.89 (0.45) C7 - O1 N1 N1 - Distance Angles C7 1.3607 (0.0042) C1 1.4202 (0.0049) 123.26 (0.33) H1N 0.8735 (0.0194) 117.03 (3.15) 118.87 (3.18) N1 - C7 C1 O1 - Distance Angles C7 1.2321 (0.0063) O1 - Cl1 - Distance Angles C4 1.7438 (0.0039) Cl1 - Specified hydrogen bonds (with esds except fixed and riding H) D-H H...A D...A <(DHA) 0.874(19) 2.06(3) 2.854(5) 150(4) N1-H1N...O1_$1 Hydrogen bonds with H..A < r(A) + 2.000 Angstroms and 110 deg. D-H d(D-H) d(H..A)