#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/7/7051260.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7051260 _journal_name_full 'New Journal of Chemistry' _journal_year 2000 _chemical_formula_moiety 'C58 H55 N O P3 Ru, F6 P' _chemical_formula_sum 'C58 H55 F6 N O P4 Ru' _chemical_formula_weight 1120.98 _symmetry_cell_setting Triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z _cell_length_a 10.9743(11) _cell_length_b 12.4718(14) _cell_length_c 21.493(3) _cell_angle_alpha 92.052(14) _cell_angle_beta 94.429(14) _cell_angle_gamma 91.384(13) _cell_volume 2930.0(6) _cell_formula_units_Z 2 _cell_measurement_temperature 297(2) _exptl_crystal_density_diffrn 1.271 _diffrn_ambient_temperature 297(2) loop_ _atom_site_label _atom_site_type_symbol _atom_site_thermal_displace_type _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ru1 Ru Uani 0.40634(6) 0.29640(5) 0.23542(3) 1.000 0.0397(2) P1 P Uani 0.25557(19) 0.18572(16) 0.17904(10) 1.000 0.0421(7) P2 P Uani 0.2987(2) 0.45403(16) 0.25299(10) 1.000 0.0457(7) P3 P Uani 0.4020(2) 0.24714(17) 0.33852(10) 1.000 0.0477(8) O1 O Uani 0.3600(6) 0.3451(5) 0.3817(2) 1.000 0.0547(19) N1 N Uani 0.2146(8) 0.1343(6) -0.0032(3) 1.000 0.061(3) C1 C Uani 0.5775(8) 0.2194(7) 0.2130(4) 1.000 0.054(3) C2 C Uani 0.6080(8) 0.3200(8) 0.2436(4) 1.000 0.057(3) C3 C Uani 0.5604(7) 0.3999(7) 0.2068(4) 1.000 0.050(3) C4 C Uani 0.4960(8) 0.3499(7) 0.1505(4) 1.000 0.051(3) C5 C Uani 0.5122(8) 0.2391(7) 0.1569(4) 1.000 0.050(3) C6 C Uani 0.4638(8) 0.1570(7) 0.1061(4) 1.000 0.048(3) C7 C Uani 0.5114(9) 0.1859(9) 0.0439(5) 1.000 0.072(4) C8 C Uani 0.5059(9) 0.0425(7) 0.1208(5) 1.000 0.062(3) C9 C Uani 0.3180(7) 0.1652(6) 0.1004(3) 1.000 0.041(3) C10 C Uani 0.2516(8) 0.0891(7) 0.0527(4) 1.000 0.050(3) C11 C Uani 0.2338(9) -0.0205(7) 0.0595(4) 1.000 0.054(3) C12 C Uani 0.1765(9) -0.0817(8) 0.0121(5) 1.000 0.067(4) C13 C Uani 0.1391(12) -0.0385(9) -0.0423(6) 1.000 0.083(5) C14 C Uani 0.1616(11) 0.0715(8) -0.0463(5) 1.000 0.074(4) C15 C Uani 0.2253(8) 0.0509(6) 0.2053(4) 1.000 0.047(3) C16 C Uani 0.1141(9) -0.0052(8) 0.1928(5) 1.000 0.063(4) C17 C Uani 0.1002(11) -0.1095(8) 0.2100(6) 1.000 0.080(4) C18 C Uani 0.1906(12) -0.1587(9) 0.2436(7) 1.000 0.094(5) C19 C Uani 0.3004(10) -0.1062(8) 0.2582(5) 1.000 0.072(4) C20 C Uani 0.3168(8) -0.0012(7) 0.2404(4) 1.000 0.053(3) C21 C Uani 0.0998(8) 0.2331(7) 0.1557(4) 1.000 0.054(3) C22 C Uani 0.0103(8) 0.2259(8) 0.1979(5) 1.000 0.064(4) C23 C Uani -0.1046(9) 0.2611(12) 0.1846(6) 1.000 0.086(5) C24 C Uani -0.1334(10) 0.3083(10) 0.1285(7) 1.000 0.085(5) C25 C Uani -0.0515(10) 0.3160(7) 0.0862(6) 1.000 0.070(4) C26 C Uani 0.0667(9) 0.2778(7) 0.0989(5) 1.000 0.059(3) C27 C Uani 0.3660(8) 0.5467(7) 0.3143(4) 1.000 0.051(3) C28 C Uani 0.4888(11) 0.5495(9) 0.3340(5) 1.000 0.078(4) C29 C Uani 0.5398(14) 0.6286(11) 0.3731(6) 1.000 0.097(5) C30 C Uani 0.4657(19) 0.7077(11) 0.3993(7) 1.000 0.112(7) C31 C Uani 0.3417(16) 0.7043(9) 0.3831(6) 1.000 0.096(6) C32 C Uani 0.2966(12) 0.6247(7) 0.3417(5) 1.000 0.074(4) C33 C Uani 0.3038(9) 0.5393(7) 0.1850(4) 1.000 0.053(3) C34 C Uani 0.3764(10) 0.6321(7) 0.1850(5) 1.000 0.066(4) C35 C Uani 0.3810(12) 0.6874(9) 0.1317(6) 1.000 0.085(5) C36 C Uani 0.3170(13) 0.6582(10) 0.0790(6) 1.000 0.091(5) C37 C Uani 0.2399(13) 0.5674(10) 0.0769(6) 1.000 0.089(5) C38 C Uani 0.2360(11) 0.5123(8) 0.1320(5) 1.000 0.074(4) C39 C Uani 0.1367(8) 0.4549(7) 0.2679(5) 1.000 0.057(3) C40 C Uani 0.0555(10) 0.5246(9) 0.2369(5) 1.000 0.073(4) C41 C Uani -0.0652(10) 0.5284(10) 0.2574(7) 1.000 0.090(5) C42 C Uani -0.1026(11) 0.4752(10) 0.3062(7) 1.000 0.087(5) C43 C Uani -0.0201(11) 0.4070(9) 0.3359(6) 1.000 0.081(5) C44 C Uani 0.0977(9) 0.3979(7) 0.3182(5) 1.000 0.065(4) C45 C Uani 0.5553(9) 0.2230(8) 0.3736(4) 1.000 0.056(3) C46 C Uani 0.6207(9) 0.3022(8) 0.4126(4) 1.000 0.064(3) C47 C Uani 0.7372(12) 0.2839(11) 0.4355(6) 1.000 0.085(5) C48 C Uani 0.7939(11) 0.1945(13) 0.4227(5) 1.000 0.085(5) C49 C Uani 0.7313(13) 0.1198(12) 0.3853(6) 1.000 0.096(6) C50 C Uani 0.6130(10) 0.1275(8) 0.3596(5) 1.000 0.066(4) C51 C Uani 0.3120(9) 0.1358(7) 0.3678(4) 1.000 0.052(3) C52 C Uani 0.3605(12) 0.0685(8) 0.4160(5) 1.000 0.077(4) C53 C Uani 0.2880(13) -0.0054(9) 0.4406(6) 1.000 0.089(5) C54 C Uani 0.1709(14) -0.0174(10) 0.4203(6) 1.000 0.098(6) C55 C Uani 0.1167(11) 0.0482(10) 0.3752(6) 1.000 0.090(5) C56 C Uani 0.1931(10) 0.1222(7) 0.3468(5) 1.000 0.066(4) C57 C Uani 0.3323(11) 0.3393(8) 0.4460(4) 1.000 0.073(4) C58 C Uani 0.3137(16) 0.4453(9) 0.4710(5) 1.000 0.107(6) P4 P Uani 0.2816(3) 0.1506(3) -0.2483(2) 1.000 0.0925(14) F1 F Uani 0.3125(19) 0.2721(12) -0.2577(9) 1.000 0.264(10) F2 F Uani 0.367(2) 0.1709(12) -0.1939(13) 1.000 0.383(17) F3 F Uani 0.2037(15) 0.1800(15) -0.2011(8) 1.000 0.304(10) F4 F Uani 0.301(2) 0.0396(9) -0.2402(7) 1.000 0.312(14) F5 F Uani 0.1751(14) 0.124(2) -0.2915(6) 1.000 0.288(11) F6 F Uani 0.341(2) 0.1412(13) -0.3072(11) 1.000 0.327(13) H1 H Uiso 0.59760 0.15240 0.22780 1.000 0.0640 H2 H Uiso 0.65250 0.33050 0.28200 1.000 0.0690 H3 H Uiso 0.56800 0.47320 0.21630 1.000 0.0600 H4 H Uiso 0.45400 0.38380 0.11780 1.000 0.0610 H7A H Uiso 0.47490 0.13780 0.01140 1.000 0.0860 H7B H Uiso 0.49050 0.25820 0.03480 1.000 0.0860 H7C H Uiso 0.59860 0.17970 0.04630 1.000 0.0860 H8A H Uiso 0.47690 0.02210 0.15980 1.000 0.0740 H8B H Uiso 0.47340 -0.00700 0.08810 1.000 0.0740 H8C H Uiso 0.59360 0.04140 0.12360 1.000 0.0740 H9 H Uiso 0.30580 0.23510 0.08170 1.000 0.0490 H11 H Uiso 0.26110 -0.05160 0.09660 1.000 0.0640 H12 H Uiso 0.16280 -0.15460 0.01730 1.000 0.0810 H13 H Uiso 0.10040 -0.07960 -0.07530 1.000 0.0990 H14 H Uiso 0.13580 0.10230 -0.08360 1.000 0.0890 H16 H Uiso 0.04840 0.02860 0.17260 1.000 0.0750 H17 H Uiso 0.02730 -0.14710 0.19830 1.000 0.0970 H18 H Uiso 0.17800 -0.22810 0.25670 1.000 0.1130 H19 H Uiso 0.36380 -0.14060 0.27990 1.000 0.0870 H20 H Uiso 0.39040 0.03520 0.25220 1.000 0.0630 H22 H Uiso 0.02980 0.19620 0.23640 1.000 0.0770 H23 H Uiso -0.16340 0.25340 0.21320 1.000 0.1040 H24 H Uiso -0.21110 0.33500 0.12010 1.000 0.1020 H25 H Uiso -0.07270 0.34680 0.04820 1.000 0.0840 H26 H Uiso 0.12330 0.28250 0.06890 1.000 0.0710 H28 H Uiso 0.53800 0.49530 0.32010 1.000 0.0930 H29 H Uiso 0.62390 0.63130 0.38280 1.000 0.1160 H30 H Uiso 0.50040 0.76090 0.42700 1.000 0.1340 H31 H Uiso 0.29060 0.75450 0.39960 1.000 0.1150 H32 H Uiso 0.21280 0.62240 0.33110 1.000 0.0880 H34 H Uiso 0.42180 0.65640 0.22140 1.000 0.0790 H35 H Uiso 0.43150 0.74850 0.13250 1.000 0.1020 H36 H Uiso 0.32340 0.69780 0.04350 1.000 0.1090 H37 H Uiso 0.19340 0.54490 0.04060 1.000 0.1070 H38 H Uiso 0.18300 0.45300 0.13190 1.000 0.0890 H40 H Uiso 0.07920 0.56620 0.20460 1.000 0.0870 H41 H Uiso -0.12160 0.57040 0.23560 1.000 0.1070 H42 H Uiso -0.18050 0.48380 0.31960 1.000 0.1040 H43 H Uiso -0.04490 0.36650 0.36840 1.000 0.0970 H44 H Uiso 0.15170 0.35360 0.33990 1.000 0.0770 H46 H Uiso 0.58430 0.36650 0.42260 1.000 0.0770 H47 H Uiso 0.77870 0.33650 0.46120 1.000 0.1020 H48 H Uiso 0.87350 0.18350 0.43890 1.000 0.1020 H49 H Uiso 0.77170 0.05730 0.37600 1.000 0.1140 H50 H Uiso 0.57410 0.07270 0.33450 1.000 0.0790 H52 H Uiso 0.44250 0.07580 0.43050 1.000 0.0930 H53 H Uiso 0.32030 -0.04820 0.47210 1.000 0.1070 H54 H Uiso 0.12370 -0.07090 0.43660 1.000 0.1180 H55 H Uiso 0.03300 0.04340 0.36410 1.000 0.1080 H56 H Uiso 0.16130 0.16150 0.31370 1.000 0.0790 H57A H Uiso 0.39930 0.30700 0.47000 1.000 0.0870 H57B H Uiso 0.25930 0.29500 0.44870 1.000 0.0870 H58A H Uiso 0.29920 0.44180 0.51440 1.000 0.1600 H58B H Uiso 0.24440 0.47540 0.44860 1.000 0.1600 H58C H Uiso 0.38510 0.48960 0.46680 1.000 0.1600 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0348(4) 0.0338(3) 0.0506(4) 0.0020(3) 0.0059(3) -0.0033(3) P1 0.0343(12) 0.0367(11) 0.0556(13) 0.0010(9) 0.0057(9) 0.0004(10) P2 0.0466(13) 0.0319(11) 0.0587(13) 0.0037(9) 0.0052(10) -0.0037(10) P3 0.0479(14) 0.0416(12) 0.0544(13) 0.0046(10) 0.0076(10) 0.0041(11) O1 0.066(4) 0.052(3) 0.047(3) 0.003(3) 0.010(3) 0.000(3) N1 0.070(5) 0.055(5) 0.057(5) -0.001(4) -0.004(4) 0.000(4) C1 0.037(5) 0.052(5) 0.075(6) 0.011(4) 0.016(4) 0.001(4) C2 0.045(5) 0.072(6) 0.054(5) -0.001(5) 0.006(4) -0.025(5) C3 0.041(5) 0.056(5) 0.051(5) -0.005(4) 0.001(4) -0.016(4) C4 0.034(5) 0.058(5) 0.061(5) 0.009(4) 0.005(4) 0.003(4) C5 0.042(5) 0.057(5) 0.052(5) 0.003(4) 0.010(4) 0.001(5) C6 0.043(5) 0.051(5) 0.051(5) 0.002(4) 0.008(4) 0.006(4) C7 0.051(6) 0.085(8) 0.081(7) -0.002(6) 0.016(5) 0.011(6) C8 0.050(6) 0.052(5) 0.083(7) -0.010(5) 0.001(5) 0.013(5) C9 0.043(5) 0.035(4) 0.043(4) -0.002(3) -0.003(3) 0.000(4) C10 0.044(5) 0.043(5) 0.062(5) -0.002(4) 0.007(4) 0.007(4) C11 0.062(6) 0.045(5) 0.054(5) 0.001(4) 0.005(4) 0.003(5) C12 0.068(7) 0.047(5) 0.084(7) -0.007(5) -0.010(5) 0.002(5) C13 0.094(9) 0.059(7) 0.091(8) -0.027(6) -0.009(7) 0.006(6) C14 0.095(9) 0.061(6) 0.064(6) 0.000(5) -0.017(6) 0.012(6) C15 0.046(5) 0.034(4) 0.060(5) -0.003(4) 0.007(4) -0.001(4) C16 0.052(6) 0.055(6) 0.079(7) 0.001(5) -0.004(5) -0.008(5) C17 0.064(7) 0.042(5) 0.134(10) 0.006(6) 0.006(7) -0.014(6) C18 0.074(8) 0.045(6) 0.164(12) 0.021(7) 0.012(8) -0.015(6) C19 0.074(8) 0.047(6) 0.098(8) 0.018(5) 0.010(6) 0.013(6) C20 0.045(5) 0.047(5) 0.067(6) -0.002(4) 0.009(4) -0.006(5) C21 0.035(5) 0.047(5) 0.080(6) -0.004(4) -0.002(4) 0.001(4) C22 0.029(5) 0.074(7) 0.089(7) -0.005(5) 0.003(4) 0.000(5) C23 0.035(6) 0.129(11) 0.094(9) -0.028(8) 0.012(5) -0.001(7) C24 0.041(6) 0.073(8) 0.137(12) -0.022(8) -0.005(7) 0.012(6) C25 0.061(7) 0.036(5) 0.109(8) -0.006(5) -0.019(6) 0.004(5) C26 0.057(6) 0.042(5) 0.075(6) -0.003(4) -0.009(5) -0.001(5) C27 0.053(6) 0.042(5) 0.057(5) 0.008(4) 0.000(4) -0.013(4) C28 0.084(8) 0.070(7) 0.078(7) -0.007(6) 0.010(6) -0.026(6) C29 0.107(10) 0.081(9) 0.096(9) 0.009(7) -0.019(7) -0.038(8) C30 0.172(17) 0.062(8) 0.094(10) 0.005(7) -0.033(10) -0.021(10) C31 0.151(14) 0.045(6) 0.089(9) -0.007(6) -0.008(8) 0.001(8) C32 0.105(9) 0.042(5) 0.071(7) -0.002(5) -0.011(6) 0.003(6) C33 0.060(6) 0.042(5) 0.056(5) -0.002(4) 0.002(4) 0.001(4) C34 0.074(7) 0.043(5) 0.081(7) 0.009(5) 0.010(5) -0.003(5) C35 0.089(9) 0.067(7) 0.102(9) 0.034(7) 0.012(7) -0.008(7) C36 0.102(10) 0.081(8) 0.094(9) 0.026(7) 0.023(8) 0.012(8) C37 0.108(10) 0.081(8) 0.076(8) 0.008(6) -0.009(7) 0.010(8) C38 0.088(8) 0.056(6) 0.076(7) 0.006(5) -0.002(6) -0.006(6) C39 0.049(6) 0.040(5) 0.080(6) -0.004(4) -0.002(5) -0.002(5) C40 0.061(7) 0.076(7) 0.080(7) 0.004(6) -0.001(5) 0.009(6) C41 0.050(7) 0.081(8) 0.140(11) 0.009(8) 0.010(7) 0.020(7) C42 0.046(7) 0.075(8) 0.137(11) -0.018(8) 0.007(7) -0.005(7) C43 0.069(8) 0.065(7) 0.110(9) -0.009(6) 0.025(7) -0.021(7) C44 0.061(7) 0.042(5) 0.093(7) 0.005(5) 0.018(5) 0.001(5) C45 0.055(6) 0.066(6) 0.048(5) 0.017(4) -0.001(4) 0.004(5) C46 0.056(6) 0.070(6) 0.063(6) 0.003(5) -0.003(5) -0.023(5) C47 0.066(8) 0.081(9) 0.106(9) 0.012(7) -0.007(7) -0.013(7) C48 0.065(8) 0.120(11) 0.068(7) 0.009(7) -0.007(6) 0.008(8) C49 0.093(10) 0.107(10) 0.091(9) 0.028(8) 0.020(7) 0.014(9) C50 0.055(7) 0.053(6) 0.090(7) 0.003(5) 0.001(5) 0.012(5) C51 0.064(6) 0.037(4) 0.057(5) 0.002(4) 0.013(4) -0.006(4) C52 0.092(9) 0.058(6) 0.084(7) 0.023(5) 0.013(6) 0.010(6) C53 0.096(10) 0.066(7) 0.109(9) 0.030(6) 0.026(7) -0.015(7) C54 0.108(11) 0.072(8) 0.119(10) 0.013(7) 0.035(9) -0.022(8) C55 0.070(8) 0.079(8) 0.127(10) 0.017(7) 0.049(7) -0.002(7) C56 0.074(7) 0.036(5) 0.089(7) 0.004(5) 0.015(5) -0.005(5) C57 0.103(9) 0.062(6) 0.058(6) 0.010(5) 0.029(6) 0.011(6) C58 0.196(16) 0.052(6) 0.078(8) 0.003(6) 0.037(9) 0.030(8) P4 0.069(2) 0.084(2) 0.125(3) -0.001(2) 0.009(2) 0.0131(19) F1 0.31(2) 0.151(12) 0.35(2) 0.065(13) 0.112(17) 0.024(13) F2 0.40(3) 0.133(12) 0.56(4) 0.006(17) -0.31(3) 0.001(15) F3 0.226(14) 0.37(2) 0.313(18) -0.225(17) 0.173(14) -0.194(15) F4 0.59(4) 0.100(8) 0.216(13) 0.001(8) -0.170(18) 0.070(14) F5 0.172(12) 0.53(3) 0.155(11) 0.002(14) -0.036(9) 0.017(16) F6 0.38(2) 0.180(13) 0.45(3) -0.102(16) 0.30(2) -0.108(15) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 P1 2.360(2) . . yes Ru1 P2 2.352(2) . . yes Ru1 P3 2.324(2) . . yes Ru1 C1 2.208(9) . . yes Ru1 C2 2.218(9) . . yes Ru1 C3 2.239(8) . . yes Ru1 C4 2.253(9) . . yes Ru1 C5 2.228(9) . . yes P1 C9 1.884(7) . . yes P1 C15 1.824(8) . . yes P1 C21 1.860(9) . . yes P2 C27 1.821(9) . . yes P2 C33 1.841(9) . . yes P2 C39 1.831(9) . . yes P3 O1 1.606(6) . . yes P3 C45 1.826(10) . . yes P3 C51 1.842(9) . . yes P4 F2 1.45(3) . . yes P4 F3 1.420(17) . . yes P4 F4 1.421(12) . . yes P4 F5 1.459(15) . . yes P4 F6 1.47(2) . . yes P4 F1 1.568(16) . . yes O1 C57 1.442(10) . . yes N1 C10 1.382(11) . . yes N1 C14 1.286(13) . . yes C1 C5 1.387(12) . . no C1 C2 1.416(13) . . no C2 C3 1.382(13) . . no C3 C4 1.465(12) . . no C4 C5 1.408(12) . . no C5 C6 1.525(12) . . no C6 C9 1.601(12) . . no C6 C7 1.524(14) . . no C6 C8 1.547(12) . . no C9 C10 1.505(11) . . no C10 C11 1.391(12) . . no C11 C12 1.356(14) . . no C12 C13 1.344(16) . . no C13 C14 1.395(15) . . no C15 C16 1.395(13) . . no C15 C20 1.396(12) . . no C16 C17 1.373(14) . . no C17 C18 1.354(18) . . no C18 C19 1.367(17) . . no C19 C20 1.389(13) . . no C21 C22 1.391(13) . . no C21 C26 1.387(13) . . no C22 C23 1.358(14) . . no C23 C24 1.38(2) . . no C24 C25 1.331(18) . . no C25 C26 1.403(15) . . no C27 C28 1.380(15) . . no C27 C32 1.392(14) . . no C28 C29 1.354(18) . . no C29 C30 1.42(2) . . no C30 C31 1.38(3) . . no C31 C32 1.366(16) . . no C33 C38 1.339(14) . . no C33 C34 1.389(13) . . no C34 C35 1.362(16) . . no C35 C36 1.321(18) . . no C36 C37 1.394(19) . . no C37 C38 1.393(17) . . no C39 C44 1.403(14) . . no C39 C40 1.407(14) . . no C40 C41 1.429(16) . . no C41 C42 1.35(2) . . no C42 C43 1.392(18) . . no C43 C44 1.382(16) . . no C45 C46 1.417(13) . . no C45 C50 1.397(14) . . no C46 C47 1.362(16) . . no C47 C48 1.32(2) . . no C48 C49 1.35(2) . . no C49 C50 1.378(18) . . no C51 C56 1.352(15) . . no C51 C52 1.435(14) . . no C52 C53 1.351(17) . . no C53 C54 1.33(2) . . no C54 C55 1.398(18) . . no C55 C56 1.418(16) . . no C57 C58 1.434(15) . . no C1 H1 0.9302 . . no C2 H2 0.9294 . . no C3 H3 0.9299 . . no C4 H4 0.9305 . . no C7 H7A 0.9609 . . no C7 H7B 0.9590 . . no C7 H7C 0.9595 . . no C8 H8B 0.9601 . . no C8 H8A 0.9598 . . no C8 H8C 0.9601 . . no C9 H9 0.9808 . . no C11 H11 0.9311 . . no C12 H12 0.9301 . . no C13 H13 0.9290 . . no C14 H14 0.9288 . . no C16 H16 0.9303 . . no C17 H17 0.9303 . . no C18 H18 0.9302 . . no C19 H19 0.9297 . . no C20 H20 0.9302 . . no C22 H22 0.9307 . . no C23 H23 0.9306 . . no C24 H24 0.9300 . . no C25 H25 0.9307 . . no C26 H26 0.9316 . . no C28 H28 0.9305 . . no C29 H29 0.9299 . . no C30 H30 0.9296 . . no C31 H31 0.9295 . . no C32 H32 0.9297 . . no C34 H34 0.9315 . . no C35 H35 0.9302 . . no C36 H36 0.9298 . . no C37 H37 0.9294 . . no C38 H38 0.9296 . . no C40 H40 0.9306 . . no C41 H41 0.9303 . . no C42 H42 0.9303 . . no C43 H43 0.9301 . . no C44 H44 0.9304 . . no C46 H46 0.9302 . . no C47 H47 0.9293 . . no C48 H48 0.9303 . . no C49 H49 0.9292 . . no C50 H50 0.9297 . . no C52 H52 0.9305 . . no C53 H53 0.9311 . . no C54 H54 0.9297 . . no C55 H55 0.9310 . . no C56 H56 0.9290 . . no C57 H57A 0.9693 . . no C57 H57B 0.9688 . . no C58 H58C 0.9597 . . no C58 H58A 0.9606 . . no C58 H58B 0.9598 . . no