#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211559.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_2211559_Fobs loop_ _publ_author_name 'Begum, Noor Shahina' 'Vasundhara, D. E.' _publ_section_title ; Ethyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ; _journal_coeditor_code OB2095 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o5796 _journal_page_last o5798 _journal_volume 62 _journal_year 2006 _chemical_formula_sum 'C14 H15 N3 O4 S' _chemical_formula_weight 321.35 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.260 _cell_angle_beta 75.418 _cell_angle_gamma 82.888 _cell_formula_units_Z 2 _cell_length_a 7.4275 _cell_length_b 9.3536 _cell_length_c 11.2900 _cell_measurement_reflns_used 15 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 8.02 _cell_measurement_theta_min 6.9 _cell_volume 729.3(2) _computing_cell_refinement SMART(Bruker,1998) _computing_data_collection SMART(Bruker,1998) _computing_data_reduction 'SAINT (Bruker,1998)' _computing_molecular_graphics ORTEP _computing_publication_material 'Manually edited SHELXL cif' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.878 _diffrn_measurement_device_type 'Bruker SMART CCD area detector' _diffrn_measurement_method \w/2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0148 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 5725 _diffrn_reflns_theta_full 27.34 _diffrn_reflns_theta_max 27.34 _diffrn_reflns_theta_min 1.92 _exptl_absorpt_coefficient_mu 0.244 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 1.0000 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.463 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 336.00 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.15 _refine_diff_density_max 0.321 _refine_diff_density_min -0.212 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.017 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 201 _refine_ls_number_reflns 2897 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.017 _refine_ls_R_factor_gt 0.0399 _refine_ls_shift/su_max 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0591P)^2^+0.3089P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.1127 _reflns_d_resolution_high 0.7738 _reflns_number_gt 2556 _reflns_number_total 2897 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file ob2095Isup2.hkl _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M p_-1 #BEGIN Tags that were not found in dictionaries: _shelx_title ' anvzb_m in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 77.20 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group _atom_site_disorder_assembly C1 C -0.3757(2) 0.74585(19) 0.50064(15) 0.0354(3) Uani 1 d . . . H1 H -0.4306 0.84 0.5041 0.042 Uiso 1 calc R . . C2 C -0.4257(2) 0.6245(2) 0.60066(15) 0.0405(4) Uani 1 d . . . C3 C -0.3531(3) 0.4819(2) 0.59921(18) 0.0479(4) Uani 1 d . . . H3 H -0.3902 0.4018 0.6677 0.057 Uiso 1 calc R . . C4 C -0.2233(3) 0.4620(2) 0.49247(19) 0.0484(4) Uani 1 d . . . H4 H -0.1728 0.3669 0.4882 0.058 Uiso 1 calc R . . C5 C -0.1676(2) 0.58300(19) 0.39132(17) 0.0406(4) Uani 1 d . . . H5 H -0.0792 0.568 0.3204 0.049 Uiso 1 calc R . . C6 C -0.2421(2) 0.72571(17) 0.39465(14) 0.0314(3) Uani 1 d . . . C7 C -0.1782(2) 0.86415(17) 0.29025(14) 0.0305(3) Uani 1 d . . . H7 H -0.2883 0.9308 0.2781 0.037 Uiso 1 calc R . . C8 C 0.1308(2) 0.92669(17) 0.30191(14) 0.0326(3) Uani 1 d . . . C9 C 0.1072(2) 0.83008(17) 0.12686(14) 0.0323(3) Uani 1 d . . . C10 C -0.0807(2) 0.83203(17) 0.16466(14) 0.0311(3) Uani 1 d . . . C11 C -0.2085(2) 0.80087(18) 0.09527(15) 0.0342(3) Uani 1 d . . . C12 C -0.2431(2) 0.7060(2) -0.07245(16) 0.0427(4) Uani 1 d . . . H12A H -0.3083 0.7945 -0.1136 0.051 Uiso 1 calc R . . H12B H -0.3345 0.6375 -0.0166 0.051 Uiso 1 calc R . . C13 C -0.1155(3) 0.6346(3) -0.1686(2) 0.0601(6) Uani 1 d . . . H13A H -0.0288 0.7048 -0.2248 0.09 Uiso 1 calc R . . H13B H -0.1874 0.6037 -0.216 0.09 Uiso 1 calc R . . H13C H -0.0485 0.5496 -0.1266 0.09 Uiso 1 calc R . . C14 C 0.2306(2) 0.7950(2) 0.00996(16) 0.0442(4) Uani 1 d . . . H14A H 0.2621 0.6899 0.0258 0.066 Uiso 1 calc R . . H14B H 0.3424 0.8475 -0.0133 0.066 Uiso 1 calc R . . H14C H 0.1665 0.825 -0.0576 0.066 Uiso 1 calc R . . S1 S 0.26746(6) 0.98477(6) 0.37495(4) 0.04886(17) Uani 1 d . . . N2 N -0.05397(18) 0.94123(15) 0.33252(13) 0.0361(3) Uani 1 d . . . H2 H -0.1047 0.9997 0.3803 0.043 Uiso 1 calc R . . N1 N 0.20758(18) 0.86528(16) 0.20292(13) 0.0363(3) Uani 1 d . . . H1A H 0.3264 0.8469 0.1862 0.044 Uiso 1 calc R . . N3 N -0.5676(3) 0.6512(2) 0.71192(14) 0.0565(5) Uani 1 d . . . O1 O -0.12578(16) 0.74434(16) -0.00175(11) 0.0464(3) Uani 1 d . . . O2 O -0.37577(16) 0.82294(17) 0.12589(13) 0.0535(4) Uani 1 d . . . O3 O -0.6523(3) 0.7716(2) 0.70435(15) 0.0766(5) Uani 1 d . . . O4 O -0.5915(3) 0.5491(2) 0.80670(16) 0.1030(7) Uani 1 d . . . 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 C1 0.0329(8) 0.0440(9) 0.0330(8) -0.0150(7) -0.0058(6) -0.0082(6) C2 0.0380(9) 0.0552(10) 0.0312(8) -0.0109(7) -0.0072(7) -0.0150(7) C3 0.0487(10) 0.0502(10) 0.0449(10) 0.0005(8) -0.0183(8) -0.0157(8) C4 0.0474(10) 0.0391(9) 0.0624(12) -0.0107(8) -0.0216(9) -0.0018(7) C5 0.0338(8) 0.0452(9) 0.0460(9) -0.0175(8) -0.0086(7) -0.0018(7) C6 0.0258(7) 0.0411(8) 0.0317(8) -0.0139(6) -0.0073(6) -0.0065(6) C7 0.0248(7) 0.0384(8) 0.0304(7) -0.0141(6) -0.0031(6) -0.0034(6) C8 0.0321(8) 0.0358(8) 0.0310(8) -0.0095(6) -0.0062(6) -0.0061(6) C9 0.0291(8) 0.0388(8) 0.0303(7) -0.0119(6) -0.0048(6) -0.0031(6) C10 0.0264(7) 0.0391(8) 0.0290(7) -0.0128(6) -0.0032(6) -0.0027(6) C11 0.0294(8) 0.0427(9) 0.0319(8) -0.0136(7) -0.0042(6) -0.0039(6) C12 0.0363(9) 0.0621(11) 0.0365(9) -0.0198(8) -0.0097(7) -0.0083(8) C13 0.0542(12) 0.0842(15) 0.0572(12) -0.0430(11) -0.0157(9) 0.0022(10) C14 0.0294(8) 0.0663(12) 0.0403(9) -0.0267(8) 0.0016(7) -0.0056(8) S1 0.0385(3) 0.0728(3) 0.0461(3) -0.0291(2) -0.00941(19) -0.0126(2) N2 0.0309(7) 0.0449(8) 0.0370(7) -0.0220(6) -0.0003(5) -0.0078(6) N1 0.0229(6) 0.0521(8) 0.0385(7) -0.0207(6) -0.0053(5) -0.0014(5) N3 0.0573(10) 0.0768(12) 0.0326(8) -0.0108(8) 0.0019(7) -0.0259(9) O1 0.0303(6) 0.0771(9) 0.0424(7) -0.0346(6) -0.0054(5) -0.0050(6) O2 0.0257(6) 0.0884(10) 0.0589(8) -0.0429(8) -0.0076(5) 0.0002(6) O3 0.0758(11) 0.0827(12) 0.0563(9) -0.0249(8) 0.0196(8) -0.0046(9) O4 0.1336(19) 0.1007(15) 0.0423(9) 0.0056(9) 0.0182(10) -0.0186(13) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 C6 119.14(16) . . ? C2 C1 H1 120.4 . . ? C6 C1 H1 120.4 . . ? C1 C2 C3 122.90(16) . . ? C1 C2 N3 117.32(16) . . ? C3 C2 N3 119.75(16) . . ? C2 C3 C4 117.72(16) . . ? C2 C3 H3 121.1 . . ? C4 C3 H3 121.1 . . ? C3 C4 C5 120.48(17) . . ? C3 C4 H4 119.8 . . ? C5 C4 H4 119.8 . . ? C6 C5 C4 120.94(16) . . ? C6 C5 H5 119.5 . . ? C4 C5 H5 119.5 . . ? C5 C6 C1 118.79(15) . . ? C5 C6 C7 123.40(14) . . ? C1 C6 C7 117.75(14) . . ? N2 C7 C10 109.77(12) . . ? N2 C7 C6 108.66(12) . . ? C10 C7 C6 113.96(12) . . ? N2 C7 H7 108.1 . . ? C10 C7 H7 108.1 . . ? C6 C7 H7 108.1 . . ? N2 C8 N1 116.27(13) . . ? N2 C8 S1 123.41(12) . . ? N1 C8 S1 120.28(12) . . ? C10 C9 N1 118.65(13) . . ? C10 C9 C14 128.94(14) . . ? N1 C9 C14 112.40(13) . . ? C9 C10 C11 125.97(14) . . ? C9 C10 C7 120.37(13) . . ? C11 C10 C7 113.64(12) . . ? O2 C11 O1 122.84(15) . . ? O2 C11 C10 122.62(14) . . ? O1 C11 C10 114.53(13) . . ? O1 C12 C13 106.22(14) . . ? O1 C12 H12A 110.5 . . ? C13 C12 H12A 110.5 . . ? O1 C12 H12B 110.5 . . ? C13 C12 H12B 110.5 . . ? H12A C12 H12B 108.7 . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C9 C14 H14A 109.5 . . ? C9 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C9 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C8 N2 C7 124.55(13) . . ? C8 N2 H2 117.7 . . ? C7 N2 H2 117.7 . . ? C8 N1 C9 124.53(13) . . ? C8 N1 H1A 117.7 . . ? C9 N1 H1A 117.7 . . ? O3 N3 O4 123.87(19) . . ? O3 N3 C2 119.08(16) . . ? O4 N3 C2 117.1(2) . . ? C11 O1 C12 117.81(13) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.378(2) . ? C1 C6 1.389(2) . ? C1 H1 0.93 . ? C2 C3 1.379(3) . ? C2 N3 1.480(2) . ? C3 C4 1.381(3) . ? C3 H3 0.93 . ? C4 C5 1.390(3) . ? C4 H4 0.93 . ? C5 C6 1.387(2) . ? C5 H5 0.93 . ? C6 C7 1.528(2) . ? C7 N2 1.4736(18) . ? C7 C10 1.5118(19) . ? C7 H7 0.98 . ? C8 N2 1.327(2) . ? C8 N1 1.360(2) . ? C8 S1 1.6753(15) . ? C9 C10 1.352(2) . ? C9 N1 1.392(2) . ? C9 C14 1.497(2) . ? C10 C11 1.472(2) . ? C11 O2 1.2104(19) . ? C11 O1 1.3236(19) . ? C12 O1 1.4523(19) . ? C12 C13 1.497(3) . ? C12 H12A 0.97 . ? C12 H12B 0.97 . ? C13 H13A 0.96 . ? C13 H13B 0.96 . ? C13 H13C 0.96 . ? C14 H14A 0.96 . ? C14 H14B 0.96 . ? C14 H14C 0.96 . ? N2 H2 0.86 . ? N1 H1A 0.86 . ? N3 O3 1.212(2) . ? N3 O4 1.217(2) . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C6 C1 C2 C3 -2.0(2) . . . . ? C6 C1 C2 N3 179.64(14) . . . . ? C1 C2 C3 C4 0.6(3) . . . . ? N3 C2 C3 C4 178.92(16) . . . . ? C2 C3 C4 C5 0.7(3) . . . . ? C3 C4 C5 C6 -0.7(3) . . . . ? C4 C5 C6 C1 -0.7(2) . . . . ? C4 C5 C6 C7 176.11(15) . . . . ? C2 C1 C6 C5 2.0(2) . . . . ? C2 C1 C6 C7 -175.00(14) . . . . ? C5 C6 C7 N2 -101.97(16) . . . . ? C1 C6 C7 N2 74.90(16) . . . . ? C5 C6 C7 C10 20.8(2) . . . . ? C1 C6 C7 C10 -162.36(13) . . . . ? N1 C9 C10 C11 178.72(14) . . . . ? C14 C9 C10 C11 -0.9(3) . . . . ? N1 C9 C10 C7 -3.1(2) . . . . ? C14 C9 C10 C7 177.25(16) . . . . ? N2 C7 C10 C9 20.4(2) . . . . ? C6 C7 C10 C9 -101.75(17) . . . . ? N2 C7 C10 C11 -161.23(13) . . . . ? C6 C7 C10 C11 76.65(17) . . . . ? C9 C10 C11 O2 -170.24(17) . . . . ? C7 C10 C11 O2 11.5(2) . . . . ? C9 C10 C11 O1 10.9(2) . . . . ? C7 C10 C11 O1 -167.36(14) . . . . ? N1 C8 N2 C7 16.0(2) . . . . ? S1 C8 N2 C7 -166.21(12) . . . . ? C10 C7 N2 C8 -27.9(2) . . . . ? C6 C7 N2 C8 97.29(17) . . . . ? N2 C8 N1 C9 5.9(2) . . . . ? S1 C8 N1 C9 -172.00(12) . . . . ? C10 C9 N1 C8 -12.0(2) . . . . ? C14 C9 N1 C8 167.73(15) . . . . ? C1 C2 N3 O3 10.3(3) . . . . ? C3 C2 N3 O3 -168.07(18) . . . . ? C1 C2 N3 O4 -169.47(19) . . . . ? C3 C2 N3 O4 12.1(3) . . . . ? O2 C11 O1 C12 -0.8(3) . . . . ? C10 C11 O1 C12 178.01(14) . . . . ? C13 C12 O1 C11 -175.70(16) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 73.93 63.49 1.03 o 2 0 0 3836.15 3867.12 42.86 o 3 0 0 116.15 159.11 1.95 o 4 0 0 196.09 222.86 2.72 o 5 0 0 67.40 78.67 1.19 o 6 0 0 290.81 244.60 3.88 o 7 0 0 19.81 18.89 1.00 o 8 0 0 60.22 59.48 2.07 o -8 1 0 17.39 15.49 1.02 o -7 1 0 15.05 14.33 0.91 o -6 1 0 3.00 3.21 0.38 o -5 1 0 150.83 152.02 2.57 o -4 1 0 133.18 128.20 1.68 o -3 1 0 327.61 373.40 6.28 o -2 1 0 15.76 18.65 0.33 o -1 1 0 4398.32 4251.86 105.99 o 0 1 0 340.04 339.35 3.83 o 1 1 0 102.17 98.85 2.82 o 2 1 0 2019.96 2126.38 23.50 o 3 1 0 54.14 61.65 0.87 o 4 1 0 217.97 206.04 2.53 o 5 1 0 79.14 74.67 1.15 o 6 1 0 126.59 131.90 2.21 o 7 1 0 17.78 20.83 1.05 o 8 1 0 0.30 -0.39 0.42 o 9 1 0 41.59 40.57 1.79 o -8 2 0 7.44 7.17 0.77 o -7 2 0 156.73 143.60 3.58 o -6 2 0 72.49 68.33 1.54 o -5 2 0 23.81 25.34 0.85 o -4 2 0 311.92 340.37 4.01 o -3 2 0 372.40 423.38 5.70 o -2 2 0 431.86 417.49 5.17 o -1 2 0 263.07 267.22 3.08 o 0 2 0 447.18 439.44 4.94 o 1 2 0 383.78 342.15 4.78 o 2 2 0 872.89 911.67 10.12 o 3 2 0 70.08 86.32 1.15 o 4 2 0 224.57 226.91 2.76 o 5 2 0 96.60 110.87 1.88 o 6 2 0 96.18 99.41 1.81 o 7 2 0 9.51 9.05 0.74 o 8 2 0 16.80 14.16 0.95 o 9 2 0 17.83 16.84 1.16 o -8 3 0 27.43 21.56 1.27 o -7 3 0 488.20 508.13 7.77 o -6 3 0 41.47 47.85 1.85 o -5 3 0 155.03 146.51 2.82 o -4 3 0 514.51 539.60 7.81 o -3 3 0 111.14 129.69 1.67 o -2 3 0 39.95 47.02 0.84 o -1 3 0 723.06 746.93 12.25 o 0 3 0 336.51 345.20 3.95 o 1 3 0 473.61 477.83 5.39 o 2 3 0 1.86 3.08 0.40 o 3 3 0 20.11 22.03 1.16 o 4 3 0 169.13 166.15 2.54 o 5 3 0 129.39 124.66 2.09 o 6 3 0 166.61 166.19 2.72 o 7 3 0 33.48 31.90 0.95 o 8 3 0 0.31 0.70 0.51 o 9 3 0 0.45 0.23 0.60 o -8 4 0 18.16 14.93 1.27 o -7 4 0 3.03 4.35 0.52 o -6 4 0 5.14 4.01 1.00 o -5 4 0 1.23 2.00 0.32 o -4 4 0 191.42 196.86 3.23 o -3 4 0 179.26 190.70 2.39 o -2 4 0 514.48 538.05 7.17 o -1 4 0 8.93 14.93 1.06 o 0 4 0 219.56 231.19 2.78 o 1 4 0 148.52 151.08 2.30 o 2 4 0 445.60 492.08 5.62 o 3 4 0 555.61 606.88 6.90 o 4 4 0 33.02 30.10 0.76 o 5 4 0 188.08 179.53 2.84 o 6 4 0 112.17 117.46 2.13 o 7 4 0 0.90 0.36 0.32 o 8 4 0 250.48 246.80 5.57 o -7 5 0 1.82 1.84 0.44 o -6 5 0 5.03 3.59 0.72 o -5 5 0 0.09 -0.38 0.58 o -4 5 0 1.03 1.63 0.48 o -3 5 0 13.01 10.20 0.48 o -2 5 0 25.33 34.25 1.16 o -1 5 0 85.46 85.10 1.24 o 0 5 0 350.89 305.61 3.65 o 1 5 0 9.79 13.18 0.36 o 2 5 0 318.70 301.15 3.60 o 3 5 0 1.31 2.68 0.27 o 4 5 0 4.73 5.23 0.36 o 5 5 0 20.84 20.53 0.69 o 6 5 0 55.99 58.50 1.34 o 7 5 0 4.25 5.47 0.73 o 8 5 0 1.57 1.86 0.67 o -7 6 0 0.06 -0.22 0.81 o -6 6 0 0.28 -0.15 0.48 o -5 6 0 5.59 5.54 0.48 o -4 6 0 8.41 8.12 0.52 o -3 6 0 107.92 92.81 3.62 o -2 6 0 29.34 24.66 0.58 o -1 6 0 32.80 30.11 0.66 o 0 6 0 62.39 51.50 1.67 o 1 6 0 2.38 2.25 0.21 o 2 6 0 17.98 17.52 0.48 o 3 6 0 49.31 51.06 1.12 o 4 6 0 83.26 84.17 1.63 o 5 6 0 0.41 0.45 0.40 o 6 6 0 174.31 170.90 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