#------------------------------------------------------------------------------ #$Date: 2013-08-29 18:37:19 +0300 (Thu, 29 Aug 2013) $ #$Revision: 88064 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/86/2018667.cif $ #------------------------------------------------------------------------------ # # 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_2018667 loop_ _publ_author_name 'Atria, Ana Mar\'ia' 'Garland, Maria Teresa' 'Baggio, Ricardo' _publ_section_title ; Isoquinolin-5-amine ; _journal_coeditor_code SK3448 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o392 _journal_page_last o394 _journal_volume 68 _journal_year 2012 _chemical_formula_iupac 'C9 H8 N2' _chemical_formula_moiety 'C9 H8 N2' _chemical_formula_sum 'C9 H8 N2' _chemical_formula_weight 144.17 _chemical_name_systematic ; Isoquinolin-5-amine ; _space_group_IT_number 9 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL97 _cell_angle_alpha 90.00 _cell_angle_beta 95.686(4) _cell_angle_gamma 90.00 _cell_formula_units_Z 8 _cell_length_a 6.0731(15) _cell_length_b 14.921(4) _cell_length_c 16.285(4) _cell_measurement_reflns_used 2008 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 25.16 _cell_measurement_theta_min 2.52 _cell_volume 1468.4(6) _computing_cell_refinement 'SAINT (Bruker, 2002)' _computing_data_collection 'SMART (Bruker, 2001)' _computing_data_reduction 'SAINT (Bruker, 2002)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 2008)' _computing_publication_material ; SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009) ; _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _diffrn_ambient_temperature 150(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.944 _diffrn_measurement_device_type 'Bruker SMART CCD area-detector' _diffrn_measurement_method 'CCD rotation images, thin slices' _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 0.0198 _diffrn_reflns_av_sigmaI/netI 0.0318 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 6002 _diffrn_reflns_theta_full 25.50 _diffrn_reflns_theta_max 27.76 _diffrn_reflns_theta_min 2.51 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.080 _exptl_absorpt_correction_T_max 0.99 _exptl_absorpt_correction_T_min 0.98 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS in SAINT-NT; Bruker, 2002)' _exptl_crystal_colour pink _exptl_crystal_density_diffrn 1.304 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 608 _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.12 _refine_diff_density_max 0.148 _refine_diff_density_min -0.160 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.035 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 215 _refine_ls_number_reflns 3082 _refine_ls_number_restraints 9 _refine_ls_restrained_S_all 1.033 _refine_ls_R_factor_all 0.0453 _refine_ls_R_factor_gt 0.0379 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0471P)^2^+0.1477P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0852 _refine_ls_wR_factor_ref 0.0895 _reflns_number_gt 2701 _reflns_number_total 3082 _reflns_threshold_expression I>2\s(I) _iucr_refine_instructions_details ; TITL MTG in Cc CELL 0.71073 6.0731 14.9214 16.2851 90.000 95.686 90.000 ZERR 8.00 0.0015 0.0043 0.0040 0.000 0.004 0.000 LATT -7 SYMM X, -Y, 0.5+Z SFAC C H N UNIT 72 64 16 L.S. 10 ACTA 51 BOND $H FMAP 2 PLAN 20 SADI 0.025 H21a H21b H22a H22B SADI 0.015 H21a N21 H21b N21 H22a N22 H22b N22 TEMP -123 WGHT 0.047100 0.147700 FVAR 0.42724 N11 3 0.118123 0.757913 0.717637 11.00000 0.03875 0.02670 = 0.04045 0.00146 0.00417 0.00289 N21 3 0.460148 0.449164 0.668513 11.00000 0.02982 0.02959 = 0.04628 -0.00126 0.00727 0.00562 H21A 2 0.506414 0.392882 0.683974 11.00000 0.04978 H21B 2 0.572920 0.487618 0.662383 11.00000 0.03499 C11 1 0.004023 0.695397 0.751603 11.00000 0.03282 0.02981 = 0.03406 0.00068 0.00441 0.00517 AFIX 43 H11 2 -0.121244 0.714067 0.777789 11.00000 -1.20000 AFIX 0 C21 1 0.052693 0.602660 0.752302 11.00000 0.02716 0.02722 = 0.02515 0.00069 -0.00133 0.00050 C31 1 -0.081380 0.539794 0.789318 11.00000 0.02771 0.03349 = 0.03179 0.00089 0.00300 -0.00050 AFIX 43 H31 2 -0.208182 0.559048 0.814258 11.00000 -1.20000 AFIX 0 C41 1 -0.025979 0.450946 0.788711 11.00000 0.03433 0.03227 = 0.03487 0.00480 0.00260 -0.00617 AFIX 43 H41 2 -0.113689 0.408406 0.814182 11.00000 -1.20000 AFIX 0 C51 1 0.158660 0.422158 0.750925 11.00000 0.03560 0.02205 = 0.03693 0.00151 -0.00242 -0.00033 AFIX 43 H51 2 0.193232 0.360055 0.751435 11.00000 -1.20000 AFIX 0 C61 1 0.292108 0.480549 0.713022 11.00000 0.02776 0.02601 = 0.02769 -0.00168 -0.00231 0.00340 C71 1 0.241266 0.574506 0.714407 11.00000 0.02427 0.02753 = 0.02357 -0.00094 -0.00288 0.00211 C81 1 0.364597 0.642066 0.678568 11.00000 0.02660 0.03384 = 0.02829 -0.00021 0.00207 -0.00104 AFIX 43 H81 2 0.492448 0.626551 0.652470 11.00000 -1.20000 AFIX 0 C91 1 0.299751 0.729507 0.681524 11.00000 0.03533 0.02847 = 0.03355 0.00258 0.00131 -0.00444 AFIX 43 H91 2 0.386037 0.773299 0.657004 11.00000 -1.20000 AFIX 0 N12 3 0.184842 1.140598 0.492546 11.00000 0.03642 0.02846 = 0.03970 -0.00208 0.00165 0.00458 N22 3 0.573833 0.835544 0.535775 11.00000 0.02910 0.02489 = 0.04432 0.00449 0.00452 0.00552 H22A 2 0.618637 0.779131 0.525083 11.00000 0.02718 H22B 2 0.683142 0.876549 0.546767 11.00000 0.03904 C12 1 0.053529 1.077051 0.458937 11.00000 0.03001 0.02949 = 0.03350 -0.00115 0.00143 0.00558 AFIX 43 H12 2 -0.086968 1.094825 0.433262 11.00000 -1.20000 AFIX 0 C22 1 0.105734 0.984707 0.458195 11.00000 0.02680 0.02899 = 0.02412 0.00048 0.00569 0.00247 C32 1 -0.043859 0.920946 0.420844 11.00000 0.02573 0.03444 = 0.03089 0.00044 0.00269 -0.00163 AFIX 43 H32 2 -0.185068 0.939036 0.396071 11.00000 -1.20000 AFIX 0 C42 1 0.017213 0.832857 0.420809 11.00000 0.03408 0.03093 = 0.03724 -0.00406 0.00594 -0.00878 AFIX 43 H42 2 -0.082100 0.789683 0.395231 11.00000 -1.20000 AFIX 0 C52 1 0.224297 0.805131 0.457951 11.00000 0.03513 0.02122 = 0.03970 -0.00075 0.00888 0.00030 AFIX 43 H52 2 0.261557 0.743330 0.457012 11.00000 -1.20000 AFIX 0 C62 1 0.375843 0.864873 0.495868 11.00000 0.02905 0.02495 = 0.02817 0.00210 0.00934 0.00247 C72 1 0.317361 0.957927 0.495619 11.00000 0.02770 0.02398 = 0.02342 0.00061 0.00590 0.00166 C82 1 0.457500 1.026692 0.530499 11.00000 0.02752 0.03226 = 0.02965 -0.00118 0.00087 0.00012 AFIX 43 H82 2 0.600851 1.012302 0.555779 11.00000 -1.20000 AFIX 0 C92 1 0.387291 1.113462 0.527900 11.00000 0.03360 0.02904 = 0.03487 -0.00423 -0.00118 -0.00047 AFIX 43 H92 2 0.485212 1.157868 0.552186 11.00000 -1.20000 HKLF 4 REM MTG in Cc REM R1 = 0.0379 for 2701 Fo > 4sig(Fo) and 0.0453 for all 3082 data REM 215 parameters refined using 9 restraints END WGHT 0.0471 0.1478 REM Highest difference peak 0.148, deepest hole -0.160, 1-sigma level 0.035 Q1 1 0.3525 0.9151 0.4950 11.00000 0.05 0.15 Q2 1 0.1697 0.5938 0.7560 11.00000 0.05 0.15 Q3 1 0.2473 0.5992 0.6667 11.00000 0.05 0.14 Q4 1 0.0731 1.0239 0.4613 11.00000 0.05 0.14 Q5 1 0.0615 0.9593 0.4199 11.00000 0.05 0.14 Q6 1 0.3871 0.6841 0.7140 11.00000 0.05 0.13 Q7 1 0.2882 0.6833 0.6613 11.00000 0.05 0.13 Q8 1 0.3898 1.0618 0.5562 11.00000 0.05 0.13 Q9 1 0.0144 0.9516 0.4622 11.00000 0.05 0.13 Q10 1 0.2328 0.9725 0.4509 11.00000 0.05 0.13 Q11 1 0.3610 0.9864 0.5358 11.00000 0.05 0.13 Q12 1 0.1830 0.9673 0.4948 11.00000 0.05 0.13 Q13 1 0.0315 0.6399 0.7637 11.00000 0.05 0.13 Q14 1 0.3765 0.6032 0.7183 11.00000 0.05 0.13 Q15 1 0.2878 0.4568 0.7606 11.00000 0.05 0.13 Q16 1 -0.1225 0.4989 0.7482 11.00000 0.05 0.13 Q17 1 -0.0001 0.6411 0.7400 11.00000 0.05 0.12 Q18 1 0.1133 0.5855 0.7184 11.00000 0.05 0.12 Q19 1 0.2477 0.5311 0.6988 11.00000 0.05 0.12 Q20 1 0.6665 0.8762 0.5824 11.00000 0.05 0.12 ; _[local]_cod_data_source_file sk3448.cif _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M 'C c' _cod_original_cell_volume 1468.5(7) _cod_database_code 2018667 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_symmetry_multiplicity N N11 0.1181(3) 0.75791(11) 0.71764(10) 0.0353(4) Uani d . 1 1 N N21 0.4601(3) 0.44916(11) 0.66851(11) 0.0350(4) Uani d D 1 1 H H21A 0.506(3) 0.3929(10) 0.6840(14) 0.050(7) Uiso d D 1 1 H H21B 0.573(3) 0.4876(12) 0.6624(13) 0.035(6) Uiso d D 1 1 C C11 0.0040(3) 0.69540(13) 0.75160(11) 0.0322(4) Uani d . 1 1 H H11 -0.1212 0.7141 0.7778 0.039 Uiso calc R 1 1 C C21 0.0527(3) 0.60266(12) 0.75230(10) 0.0268(4) Uani d . 1 1 C C31 -0.0814(3) 0.53979(12) 0.78932(11) 0.0310(4) Uani d . 1 1 H H31 -0.2082 0.5590 0.8143 0.037 Uiso calc R 1 1 C C41 -0.0260(3) 0.45095(12) 0.78871(12) 0.0339(4) Uani d . 1 1 H H41 -0.1137 0.4084 0.8142 0.041 Uiso calc R 1 1 C C51 0.1587(3) 0.42216(12) 0.75093(12) 0.0319(4) Uani d . 1 1 H H51 0.1932 0.3601 0.7514 0.038 Uiso calc R 1 1 C C61 0.2921(3) 0.48055(12) 0.71302(11) 0.0275(4) Uani d . 1 1 C C71 0.2413(3) 0.57451(12) 0.71441(10) 0.0255(4) Uani d . 1 1 C C81 0.3646(3) 0.64207(13) 0.67857(11) 0.0296(4) Uani d . 1 1 H H81 0.4924 0.6266 0.6525 0.036 Uiso calc R 1 1 C C91 0.2998(3) 0.72951(12) 0.68152(12) 0.0326(4) Uani d . 1 1 H H91 0.3860 0.7733 0.6570 0.039 Uiso calc R 1 1 N N12 0.1848(3) 1.14060(11) 0.49255(10) 0.0350(4) Uani d . 1 1 N N22 0.5738(3) 0.83554(11) 0.53578(11) 0.0327(4) Uani d D 1 1 H H22A 0.619(3) 0.7791(9) 0.5251(12) 0.027(5) Uiso d D 1 1 H H22B 0.683(3) 0.8765(11) 0.5468(13) 0.039(6) Uiso d D 1 1 C C12 0.0535(3) 1.07705(13) 0.45894(11) 0.0311(4) Uani d . 1 1 H H12 -0.0870 1.0948 0.4333 0.037 Uiso calc R 1 1 C C22 0.1057(3) 0.98471(13) 0.45819(10) 0.0264(4) Uani d . 1 1 C C32 -0.0439(3) 0.92095(12) 0.42084(11) 0.0304(4) Uani d . 1 1 H H32 -0.1851 0.9390 0.3961 0.036 Uiso calc R 1 1 C C42 0.0172(3) 0.83286(12) 0.42081(12) 0.0339(4) Uani d . 1 1 H H42 -0.0821 0.7897 0.3952 0.041 Uiso calc R 1 1 C C52 0.2243(3) 0.80513(12) 0.45795(12) 0.0317(4) Uani d . 1 1 H H52 0.2616 0.7433 0.4570 0.038 Uiso calc R 1 1 C C62 0.3758(3) 0.86487(12) 0.49587(10) 0.0270(4) Uani d . 1 1 C C72 0.3174(3) 0.95793(11) 0.49562(10) 0.0248(4) Uani d . 1 1 C C82 0.4575(3) 1.02669(12) 0.53050(11) 0.0299(4) Uani d . 1 1 H H82 0.6009 1.0123 0.5558 0.036 Uiso calc R 1 1 C C92 0.3873(3) 1.11346(12) 0.52790(12) 0.0328(4) Uani d . 1 1 H H92 0.4852 1.1579 0.5522 0.039 Uiso calc R 1 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 N11 0.0388(10) 0.0267(8) 0.0405(9) 0.0029(7) 0.0042(7) 0.0015(7) N21 0.0298(9) 0.0296(9) 0.0463(10) 0.0056(8) 0.0073(7) -0.0013(8) C11 0.0328(10) 0.0298(10) 0.0341(10) 0.0052(8) 0.0044(8) 0.0007(8) C21 0.0272(9) 0.0272(9) 0.0251(8) 0.0005(7) -0.0013(7) 0.0007(7) C31 0.0277(10) 0.0335(10) 0.0318(10) -0.0005(8) 0.0030(8) 0.0009(8) C41 0.0343(10) 0.0323(10) 0.0349(10) -0.0062(8) 0.0026(8) 0.0048(8) C51 0.0356(10) 0.0220(9) 0.0369(10) -0.0003(8) -0.0024(8) 0.0015(8) C61 0.0278(9) 0.0260(10) 0.0277(9) 0.0034(7) -0.0023(7) -0.0017(7) C71 0.0243(9) 0.0275(9) 0.0236(8) 0.0021(7) -0.0029(7) -0.0009(7) C81 0.0266(9) 0.0338(10) 0.0283(9) -0.0010(7) 0.0021(7) -0.0002(8) C91 0.0353(10) 0.0285(10) 0.0336(10) -0.0044(8) 0.0013(8) 0.0026(8) N12 0.0364(8) 0.0285(8) 0.0397(9) 0.0046(7) 0.0017(7) -0.0021(7) N22 0.0291(8) 0.0249(9) 0.0443(9) 0.0055(7) 0.0045(7) 0.0045(7) C12 0.0300(9) 0.0295(10) 0.0335(10) 0.0056(8) 0.0014(8) -0.0011(8) C22 0.0268(9) 0.0290(10) 0.0241(9) 0.0025(7) 0.0057(7) 0.0005(7) C32 0.0257(9) 0.0344(10) 0.0309(10) -0.0016(8) 0.0027(8) 0.0004(8) C42 0.0341(10) 0.0309(10) 0.0372(10) -0.0088(8) 0.0059(8) -0.0041(8) C52 0.0351(11) 0.0212(9) 0.0397(10) 0.0003(8) 0.0089(8) -0.0007(8) C62 0.0291(9) 0.0250(9) 0.0282(9) 0.0025(7) 0.0093(7) 0.0021(7) C72 0.0277(9) 0.0240(9) 0.0234(8) 0.0017(7) 0.0059(7) 0.0006(7) C82 0.0275(9) 0.0323(10) 0.0296(9) 0.0001(8) 0.0009(7) -0.0012(8) C92 0.0336(10) 0.0290(9) 0.0349(10) -0.0005(8) -0.0012(8) -0.0042(8) 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 0.0000 0.0000 '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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C11 N11 C91 116.21(17) C61 N21 H21A 112.8(14) C61 N21 H21B 116.5(13) H21A N21 H21B 113.4(18) N11 C11 C21 125.33(17) N11 C11 H11 117.3 C21 C11 H11 117.3 C11 C21 C31 121.54(16) C11 C21 C71 117.62(15) C31 C21 C71 120.84(16) C41 C31 C21 119.14(17) C41 C31 H31 120.4 C21 C31 H31 120.4 C31 C41 C51 120.61(17) C31 C41 H41 119.7 C51 C41 H41 119.7 C61 C51 C41 122.40(17) C61 C51 H51 118.8 C41 C51 H51 118.8 C51 C61 N21 121.04(17) C51 C61 C71 118.27(16) N21 C61 C71 120.47(16) C81 C71 C21 116.85(15) C81 C71 C61 124.42(16) C21 C71 C61 118.71(16) C91 C81 C71 119.98(17) C91 C81 H81 120.0 C71 C81 H81 120.0 C81 C91 N11 123.99(18) C81 C91 H91 118.0 N11 C91 H91 118.0 C12 N12 C92 116.27(16) C62 N22 H22A 117.9(12) C62 N22 H22B 117.7(13) H22A N22 H22B 115.9(17) N12 C12 C22 125.15(18) N12 C12 H12 117.4 C22 C12 H12 117.4 C32 C22 C12 121.69(16) C32 C22 C72 120.70(16) C12 C22 C72 117.60(16) C42 C32 C22 119.07(17) C42 C32 H32 120.5 C22 C32 H32 120.5 C32 C42 C52 121.03(17) C32 C42 H42 119.5 C52 C42 H42 119.5 C62 C52 C42 122.09(17) C62 C52 H52 119.0 C42 C52 H52 119.0 N22 C62 C52 121.09(17) N22 C62 C72 120.84(16) C52 C62 C72 118.02(16) C82 C72 C22 116.72(15) C82 C72 C62 124.20(16) C22 C72 C62 119.08(15) C92 C82 C72 120.16(17) C92 C82 H82 119.9 C72 C82 H82 119.9 C82 C92 N12 124.09(18) C82 C92 H92 118.0 N12 C92 H92 118.0 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance N11 C11 1.316(2) N11 C91 1.368(2) N21 C61 1.390(2) N21 H21A 0.913(13) N21 H21B 0.907(13) C11 C21 1.415(3) C11 H11 0.9500 C21 C31 1.415(3) C21 C71 1.417(2) C31 C41 1.368(2) C31 H31 0.9500 C41 C51 1.399(3) C41 H41 0.9500 C51 C61 1.377(3) C51 H51 0.9500 C61 C71 1.436(2) C71 C81 1.416(2) C81 C91 1.365(3) C81 H81 0.9500 C91 H91 0.9500 N12 C12 1.322(3) N12 C92 1.366(3) N22 C62 1.380(2) N22 H22A 0.907(13) N22 H22B 0.907(13) C12 C22 1.414(3) C12 H12 0.9500 C22 C32 1.411(3) C22 C72 1.424(2) C32 C42 1.366(3) C32 H32 0.9500 C42 C52 1.403(3) C42 H42 0.9500 C52 C62 1.382(3) C52 H52 0.9500 C62 C72 1.433(2) C72 C82 1.416(2) C82 C92 1.362(3) C82 H82 0.9500 C92 H92 0.9500 loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA N21 H21A N11 3_545 0.91(2) 2.19(2) 3.091(2) 179(2) N22 H22A N12 3_545 0.91(2) 2.18(2) 3.083(3) 173(2) C91 H91 N22 1_555 0.95 2.55 3.419(3) 152 C92 H92 Cg1 3_555 0.95 2.81 3.479(2) 128 C31 H31 Cg3 4_465 0.95 2.63 3.423(2) 141 C32 H32 Cg2 4_464 0.95 2.67 3.460(2) 142 _cod_database_fobs_code 2018667