#------------------------------------------------------------------------------ #$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: svn://www.crystallography.net/cod/cif/2/01/05/2010554.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_2010554 loop_ _publ_author_name 'Nakagawa, Hiroo' 'Kani, Yoshiyuki' 'Tsuchimoto, Masanobu' 'Ohba, Shigeru' 'Matsushima, Hideaki' 'Tokii, Tadashi' _publ_section_title ; Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 12 _journal_page_last 16 _journal_volume 56 _journal_year 2000 _chemical_formula_iupac '[Cu2 (C5 H11 O2 Si1)4 (C6 H7 N1)2 ]' _chemical_formula_moiety 'C32 H58 Cu2 N2 O8 Si4 ' _chemical_formula_sum 'C32 H58 Cu2 N2 O8 Si4' _chemical_formula_weight 838.26 _chemical_name_systematic ; tetrakis(\m-trimethylsilylacetato-O:O')di(2-methylpyridine-N)dicopper(II) ; _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 104.26(2) _cell_angle_beta 109.10(2) _cell_angle_gamma 74.91(2) _cell_formula_units_Z 1 _cell_length_a 10.874(2) _cell_length_b 11.508(2) _cell_length_c 10.330(2) _cell_measurement_reflns_used 25 _cell_measurement_temperature 298 _cell_measurement_theta_max 15 _cell_measurement_theta_min 10 _cell_volume 1160.9(4) _computing_cell_refinement ' MSC/AFC Diffractometer Control Software' _computing_data_collection ; MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993) ; _computing_data_reduction ' TEXSAN (Molecular Structure Corporation, 1998)' _computing_publication_material TEXSAN _computing_structure_refinement TEXSAN _diffrn_ambient_temperature 298 _diffrn_measurement_device_type 'Rigaku AFC7R' _diffrn_measurement_method \q-2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'Rigaku rotating anode' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .009 _diffrn_reflns_av_sigmaI/netI .031 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 0 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 8822 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_reflns_theta_max 32.5 _diffrn_reflns_theta_min 2.5 _diffrn_standards_decay_% 10.1 _diffrn_standards_interval_count 150 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 1.060 _exptl_absorpt_correction_T_max .809 _exptl_absorpt_correction_T_min .567 _exptl_absorpt_correction_type \y-scan _exptl_absorpt_process_details '(North et al., 1968)' _exptl_crystal_colour green _exptl_crystal_density_diffrn 1.199 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate-like _exptl_crystal_F_000 442 _exptl_crystal_size_max .5 _exptl_crystal_size_mid .5 _exptl_crystal_size_min .2 _refine_diff_density_max .45 _refine_diff_density_min -.32 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.39 _refine_ls_hydrogen_treatment noref _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 253 _refine_ls_number_reflns 5352 _refine_ls_number_restraints 0 _refine_ls_R_factor_gt .051 _refine_ls_shift/su_max .03 _refine_ls_shift/su_mean .0031 _refine_ls_structure_factor_coef F _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00181|Fo|^2^]' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref .079 _reflns_number_gt 5169 _reflns_number_total 8412 _reflns_threshold_expression 'I > 1.5\s(I)' _[local]_cod_data_source_file oa1095.cif _[local]_cod_data_source_block II _[local]_cod_cif_authors_sg_H-M 'P -1 ' _[local]_cod_chemical_formula_sum_orig 'C32 H58 Cu2 N2 O8 Si4 ' _cod_database_code 2010554 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _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_occupancy _atom_site_type_symbol Cu1 -.10007(3) -.01009(3) -.95868(3) .05532(10) Uani 1.00 Cu Si1 -.27360(10) .37650(10) -1.1944(2) .1130(5) Uani 1.00 Si Si2 .15770(10) .24290(10) -.52670(10) .0919(3) Uani 1.00 Si O1 -.2106(2) .0936(2) -1.0981(2) .0778(7) Uani 1.00 O O2 -.0416(2) .1116(2) -1.1633(2) .0725(6) Uani 1.00 O O3 -.0549(2) .1365(2) -.8262(3) .0806(7) Uani 1.00 O O4 .1172(3) .1517(2) -.8893(2) .0824(7) Uani 1.00 O N1 -.2633(3) -.0253(4) -.8793(3) .0884(10) Uani 1.00 N C1 -.1631(3) .1307(3) -1.1711(3) .0637(7) Uani 1.00 C C2 -.2580(4) .2098(4) -1.2728(4) .0880(10) Uani 1.00 C C3 -.320(2) .4042(8) -1.0420(10) .319(8) Uani 1.00 C C4 -.3940(10) .4687(8) -1.3170(10) .290(6) Uani 1.00 C C5 -.1162(9) .4185(7) -1.150(2) .302(6) Uani 1.00 C C6 .0395(4) .1870(3) -.8144(3) .0703(8) Uani 1.00 C C7 .0630(5) .2913(3) -.6984(4) .0920(10) Uani 1.00 C C8 .1841(8) .3815(6) -.3964(6) .158(2) Uani 1.00 C C9 .3179(8) .1508(9) -.5400(8) .186(3) Uani 1.00 C C10 .0712(10) .1400(8) -.4901(7) .183(3) Uani 1.00 C C11 -.3480(10) .043(2) -.8310(10) .100(4) Uani .50 C C12 -.4753(8) .0120(10) -.8051(9) .165(4) Uani 1.00 C C13 -.4568(7) -.0990(10) -.8522(8) .150(3) Uani 1.00 C C14 -.3740(9) -.193(2) -.898(2) .167(6) Uani .50 C C15 -.2696(9) -.1670(10) -.9250(10) .097(4) Uani .50 C C16 -.340(2) .170(2) -.800(2) .168(6) Uani .50 C C17 -.3211(10) -.1110(10) -.8913(8) .084(3) Uani .50 C C18 -.4311(9) .1200(10) -.7690(10) .126(4) Uani .50 C C19 -.3190(10) .0980(10) -.816(2) .096(4) Uani .50 C C20 -.271(2) -.2340(10) -.958(2) .137(5) Uani .50 C H1 -.3438 .1885 -1.3007 .1060 Uiso 1.00 H H2 -.2262 .1952 -1.3530 .1060 Uiso 1.00 H H3 -.3242 .4893 -1.0012 .3847 Uiso 1.00 H H4 -.4031 .3825 -1.0616 .3847 Uiso 1.00 H H5 -.2530 .3560 -.9773 .3847 Uiso 1.00 H H6 -.3982 .5537 -1.2770 .3497 Uiso 1.00 H H7 -.3680 .4520 -1.4011 .3497 Uiso 1.00 H H8 -.4798 .4488 -1.3381 .3497 Uiso 1.00 H H9 -.0527 .3706 -1.0833 .3629 Uiso 1.00 H H10 -.0875 .4045 -1.2308 .3629 Uiso 1.00 H H11 -.1239 .5038 -1.1077 .3629 Uiso 1.00 H H12 -.0213 .3406 -.6910 .1106 Uiso 1.00 H H13 .1124 .3390 -.7191 .1106 Uiso 1.00 H H14 .2365 .3595 -.3082 .1893 Uiso 1.00 H H15 .2296 .4279 -.4250 .1893 Uiso 1.00 H H16 .0998 .4306 -.3882 .1893 Uiso 1.00 H H17 .3663 .1221 -.4541 .2218 Uiso 1.00 H H18 .3056 .0826 -.6145 .2218 Uiso 1.00 H H19 .3680 .2000 -.5582 .2218 Uiso 1.00 H H20 -.0151 .1843 -.4823 .2197 Uiso 1.00 H H21 .0613 .0714 -.5647 .2197 Uiso 1.00 H H22 .1220 .1121 -.4045 .2197 Uiso 1.00 H H23 -.5434 .0645 -.7652 .1989 Uiso .50 H H24 -.5334 -.1282 -.8569 .1811 Uiso .50 H H25 -.3858 -.2753 -.9123 .1965 Uiso .50 H H26 -.2074 -.2277 -.9664 .1167 Uiso .50 H H27 -.2576 .1806 -.7323 .1993 Uiso .50 H H28 -.3470 .1963 -.8830 .1993 Uiso .50 H H29 -.4124 .2163 -.7626 .1993 Uiso .50 H H30 -.5073 -.1595 -.8623 .1811 Uiso .50 H H31 -.5590 .0318 -.7842 .1989 Uiso .50 H H32 -.4696 .1971 -.7204 .1500 Uiso .50 H H33 -.2774 .1649 -.8075 .1148 Uiso .50 H H34 -.3244 -.2889 -.9583 .1633 Uiso .50 H H35 -.2743 -.2332 -1.0512 .1633 Uiso .50 H H36 -.1806 -.2614 -.9061 .1633 Uiso .50 H 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 Cu1 .0511(2) .0635(2) .0555(2) -.01140(10) .01560(10) .01580(10) Si1 .1011(8) .0738(7) .1590(10) -.0006(6) .0141(8) .0560(8) Si2 .1253(9) .0816(6) .0593(5) -.0268(6) .0206(5) -.0058(4) O1 .0556(10) .094(2) .0890(10) -.0090(10) .0106(10) .0420(10) O2 .0660(10) .0850(10) .0710(10) -.0027(10) .0187(9) .0350(10) O3 .0820(10) .0750(10) .0810(10) -.0140(10) .0300(10) -.0040(10) O4 .109(2) .0800(10) .0700(10) -.0440(10) .0280(10) .0020(10) N1 .0550(10) .144(3) .080(2) -.024(2) .0160(10) .044(2) C1 .0640(10) .0610(10) .0630(10) -.0090(10) .0080(10) .0200(10) C2 .076(2) .092(2) .092(2) -.011(2) -.004(2) .048(2) C3 .57(2) .107(6) .320(10) -.007(10) .25(2) -.009(7) C4 .280(10) .159(7) .340(10) .023(7) -.060(10) .162(9) C5 .181(8) .098(5) .57(3) -.042(5) .010(10) .055(9) C6 .096(2) .0540(10) .0560(10) -.0180(10) .0120(10) .0090(10) C7 .135(3) .060(2) .075(2) -.026(2) .023(2) -.001(2) C8 .223(7) .126(4) .087(3) -.057(5) .004(4) -.022(3) C9 .156(6) .219(8) .120(5) .008(6) .012(4) -.001(5) C10 .266(9) .210(7) .116(4) -.113(7) .041(5) .047(5) C11 .066(5) .160(10) .083(6) -.007(6) .032(4) .037(7) C12 .122(5) .280(10) .112(5) -.054(7) .017(4) .070(7) C13 .090(4) .249(10) .123(5) -.031(6) .029(3) .054(6) C14 .071(5) .26(2) .230(10) -.068(8) .012(7) .160(10) C15 .066(5) .140(10) .116(8) -.030(6) .033(4) .048(8) C16 .101(8) .19(2) .180(10) .030(10) .061(8) -.010(10) C17 .082(5) .121(8) .066(4) -.034(5) .017(4) .034(4) C18 .081(5) .180(10) .120(7) -.003(6) .058(5) .015(7) C19 .068(6) .108(10) .119(8) -.009(6) .041(5) .020(7) C20 .160(10) .094(7) .180(10) -.061(8) .051(9) .032(8) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cu1 Cu1 1_555 2_553 2.6640(10) yes Cu1 O1 1_555 1_555 1.977(2) yes Cu1 O2 1_555 2_553 1.960(2) yes Cu1 O3 1_555 1_555 1.953(2) yes Cu1 O4 1_555 2_553 1.965(2) yes Cu1 N1 1_555 1_555 2.244(3) yes Si1 C2 1_555 1_555 1.876(4) no Si1 C3 1_555 1_555 1.740(10) no Si1 C4 1_555 1_555 1.816(7) no Si1 C5 1_555 1_555 1.783(10) no Si2 C7 1_555 1_555 1.873(4) no Si2 C8 1_555 1_555 1.835(5) no Si2 C9 1_555 1_555 1.816(8) no Si2 C10 1_555 1_555 1.861(7) no O1 C1 1_555 1_555 1.243(4) yes O2 C1 1_555 1_555 1.261(4) yes O3 C6 1_555 1_555 1.264(4) yes O4 C6 1_555 1_555 1.254(4) yes N1 C11 1_555 1_555 1.200(10) no N1 C15 1_555 1_555 1.60(2) no N1 C17 1_555 1_555 1.263(10) no N1 C19 1_555 1_555 1.47(2) no C1 C2 1_555 1_555 1.507(4) no C2 H1 1_555 1_555 .960 no C2 H2 1_555 1_555 .960 no C3 H3 1_555 1_555 .961 no C3 H4 1_555 1_555 .950 no C3 H5 1_555 1_555 .967 no C4 H6 1_555 1_555 .958 no C4 H7 1_555 1_555 .961 no C4 H8 1_555 1_555 .962 no C5 H9 1_555 1_555 .965 no C5 H10 1_555 1_555 .951 no C5 H11 1_555 1_555 .964 no C6 C7 1_555 1_555 1.482(4) no C7 H12 1_555 1_555 .960 no C7 H13 1_555 1_555 .960 no C8 H14 1_555 1_555 .958 no C8 H15 1_555 1_555 .962 no C8 H16 1_555 1_555 .961 no C9 H17 1_555 1_555 .960 no C9 H18 1_555 1_555 .957 no C9 H19 1_555 1_555 .967 no C10 H20 1_555 1_555 .963 no C10 H21 1_555 1_555 .958 no C10 H22 1_555 1_555 .958 no C11 C12 1_555 1_555 1.630(10) no C11 C16 1_555 1_555 1.43(2) no C12 C13 1_555 1_555 1.240(10) no C12 C18 1_555 1_555 1.37(2) no C12 H23 1_555 1_555 .962 no C12 H31 1_555 1_555 .961 no C13 C14 1_555 1_555 1.31(2) no C13 C17 1_555 1_555 1.620(10) no C13 H24 1_555 1_555 .959 no C13 H30 1_555 1_555 .960 no C14 C15 1_555 1_555 1.370(10) no C14 H25 1_555 1_555 .962 no C15 H26 1_555 1_555 .961 no C16 H27 1_555 1_555 .958 no C16 H28 1_555 1_555 .949 no C16 H29 1_555 1_555 .961 no C17 C20 1_555 1_555 1.46(2) no C18 C19 1_555 1_555 1.400(10) no C18 H32 1_555 1_555 .964 no C19 H33 1_555 1_555 .962 no C20 H34 1_555 1_555 .957 no C20 H35 1_555 1_555 .960 no C20 H36 1_555 1_555 .963 no loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C .003 .002 ;International Tables for Crystallography (1992, Vol. C) ; H H .000 .000 ;International Tables for Crystallography (1992, Vol. C) ; Cu Cu .320 1.265 ;International Tables for Crystallography (1992, Vol. C) ; N N .006 .003 ;International Tables for Crystallography (1992, Vol. C) ; O O .011 .006 ;International Tables for Crystallography (1992, Vol. C) ; Si Si .082 .070 ;International Tables for Crystallography (1992, Vol. C) ; loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 0 0 -3 0 -1 -2 1 1 -2 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Cu1 Cu1 O1 2_553 1_555 1_555 84.40(10) no Cu1 Cu1 O2 2_553 1_555 2_553 82.80(10) no Cu1 Cu1 O3 2_553 1_555 1_555 82.10(10) no Cu1 Cu1 O4 2_553 1_555 2_553 85.20(10) no Cu1 Cu1 N1 2_553 1_555 1_555 177.50(10) no O1 Cu1 O2 1_555 1_555 2_553 167.10(10) yes O1 Cu1 O3 1_555 1_555 1_555 89.40(10) no O1 Cu1 O4 1_555 1_555 2_553 87.50(10) no O1 Cu1 N1 1_555 1_555 1_555 97.40(10) no O2 Cu1 O3 2_553 1_555 1_555 89.80(10) no O2 Cu1 O4 2_553 1_555 2_553 90.50(10) no O2 Cu1 N1 2_553 1_555 1_555 95.50(10) no O3 Cu1 O4 1_555 1_555 2_553 167.20(10) yes O3 Cu1 N1 1_555 1_555 1_555 96.10(10) no O4 Cu1 N1 2_553 1_555 1_555 96.70(10) no C2 Si1 C3 1_555 1_555 1_555 110.1(3) no C2 Si1 C4 1_555 1_555 1_555 110.5(4) no C2 Si1 C5 1_555 1_555 1_555 109.2(3) no C3 Si1 C4 1_555 1_555 1_555 110.3(7) no C3 Si1 C5 1_555 1_555 1_555 107.4(8) no C4 Si1 C5 1_555 1_555 1_555 109.2(6) no C7 Si2 C8 1_555 1_555 1_555 107.7(2) no C7 Si2 C9 1_555 1_555 1_555 108.6(3) no C7 Si2 C10 1_555 1_555 1_555 109.6(3) no C8 Si2 C9 1_555 1_555 1_555 108.9(3) no C8 Si2 C10 1_555 1_555 1_555 116.1(4) no C9 Si2 C10 1_555 1_555 1_555 105.6(5) no Cu1 O1 C1 1_555 1_555 1_555 122.5(2) no Cu1 O2 C1 2_553 1_555 1_555 124.8(2) no Cu1 O3 C6 1_555 1_555 1_555 125.9(2) no Cu1 O4 C6 2_553 1_555 1_555 121.8(2) no Cu1 N1 C11 1_555 1_555 1_555 137.0(8) no Cu1 N1 C15 1_555 1_555 1_555 103.5(4) no Cu1 N1 C17 1_555 1_555 1_555 133.8(6) no Cu1 N1 C19 1_555 1_555 1_555 108.0(5) no C11 N1 C15 1_555 1_555 1_555 118.7(8) no C17 N1 C19 1_555 1_555 1_555 117.7(7) no O1 C1 O2 1_555 1_555 1_555 125.4(3) yes O1 C1 C2 1_555 1_555 1_555 117.3(3) no O2 C1 C2 1_555 1_555 1_555 117.3(3) no Si1 C2 C1 1_555 1_555 1_555 111.7(2) no Si1 C2 H1 1_555 1_555 1_555 108.9(3) no Si1 C2 H2 1_555 1_555 1_555 108.9(3) no C1 C2 H1 1_555 1_555 1_555 108.9(3) no C1 C2 H2 1_555 1_555 1_555 108.9(3) no H1 C2 H2 1_555 1_555 1_555 109.4(4) no Si1 C3 H3 1_555 1_555 1_555 109.0(10) no Si1 C3 H4 1_555 1_555 1_555 109.0(10) no Si1 C3 H5 1_555 1_555 1_555 108.0(10) no H3 C3 H4 1_555 1_555 1_555 110.0(10) no H3 C3 H5 1_555 1_555 1_555 108.0(10) no H4 C3 H5 1_555 1_555 1_555 109.0(10) no Si1 C4 H6 1_555 1_555 1_555 109.6(8) no Si1 C4 H7 1_555 1_555 1_555 109.5(8) no Si1 C4 H8 1_555 1_555 1_555 109.5(8) no H6 C4 H7 1_555 1_555 1_555 109.0(10) no H6 C4 H8 1_555 1_555 1_555 109.0(10) no H7 C4 H8 1_555 1_555 1_555 109.0(10) no Si1 C5 H9 1_555 1_555 1_555 109.2(10) no Si1 C5 H10 1_555 1_555 1_555 109.9(9) no Si1 C5 H11 1_555 1_555 1_555 109.2(9) no H9 C5 H10 1_555 1_555 1_555 109.0(10) no H9 C5 H11 1_555 1_555 1_555 108.0(10) no H10 C5 H11 1_555 1_555 1_555 109.0(10) no O3 C6 O4 1_555 1_555 1_555 124.8(3) yes O3 C6 C7 1_555 1_555 1_555 116.8(3) no O4 C6 C7 1_555 1_555 1_555 118.2(3) no Si2 C7 C6 1_555 1_555 1_555 113.1(2) no Si2 C7 H12 1_555 1_555 1_555 108.5(3) no Si2 C7 H13 1_555 1_555 1_555 108.6(3) no C6 C7 H12 1_555 1_555 1_555 108.5(4) no C6 C7 H13 1_555 1_555 1_555 108.5(3) no H12 C7 H13 1_555 1_555 1_555 109.5(4) no Si2 C8 H14 1_555 1_555 1_555 109.7(5) no Si2 C8 H15 1_555 1_555 1_555 109.5(5) no Si2 C8 H16 1_555 1_555 1_555 109.5(5) no H14 C8 H15 1_555 1_555 1_555 109.4(7) no H14 C8 H16 1_555 1_555 1_555 109.5(7) no H15 C8 H16 1_555 1_555 1_555 109.2(7) no Si2 C9 H17 1_555 1_555 1_555 109.7(7) no Si2 C9 H18 1_555 1_555 1_555 109.9(6) no Si2 C9 H19 1_555 1_555 1_555 109.4(7) no H17 C9 H18 1_555 1_555 1_555 109.7(9) no H17 C9 H19 1_555 1_555 1_555 108.9(8) no H18 C9 H19 1_555 1_555 1_555 109.2(9) no Si2 C10 H20 1_555 1_555 1_555 109.3(6) no Si2 C10 H21 1_555 1_555 1_555 109.5(5) no Si2 C10 H22 1_555 1_555 1_555 109.5(6) no H20 C10 H21 1_555 1_555 1_555 109.4(8) no H20 C10 H22 1_555 1_555 1_555 109.4(7) no H21 C10 H22 1_555 1_555 1_555 109.8(9) no N1 C11 C12 1_555 1_555 1_555 128.0(10) no N1 C11 C16 1_555 1_555 1_555 115.0(10) no C12 C11 C16 1_555 1_555 1_555 115.0(10) no C11 C12 C13 1_555 1_555 1_555 98.4(10) no C11 C12 H23 1_555 1_555 1_555 130.0(10) no C13 C12 C18 1_555 1_555 1_555 148.7(10) no C13 C12 H23 1_555 1_555 1_555 131.0(10) no C13 C12 H31 1_555 1_555 1_555 105.0(10) no C18 C12 H31 1_555 1_555 1_555 105.0(10) no C12 C13 C14 1_555 1_555 1_555 144.9(10) no C12 C13 C17 1_555 1_555 1_555 98.3(9) no C12 C13 H24 1_555 1_555 1_555 107.6(9) no C12 C13 H30 1_555 1_555 1_555 130.9(9) no C14 C13 H24 1_555 1_555 1_555 107.6(10) no C17 C13 H30 1_555 1_555 1_555 130.8(10) no C13 C14 C15 1_555 1_555 1_555 116.0(10) no C13 C14 H25 1_555 1_555 1_555 121.7(10) no C15 C14 H25 1_555 1_555 1_555 121.0(10) no N1 C15 C14 1_555 1_555 1_555 112.0(10) no N1 C15 H26 1_555 1_555 1_555 123.9(8) no C14 C15 H26 1_555 1_555 1_555 123.0(10) no C11 C16 H27 1_555 1_555 1_555 108.0(10) no C11 C16 H28 1_555 1_555 1_555 109.0(10) no C11 C16 H29 1_555 1_555 1_555 108.0(10) no H27 C16 H28 1_555 1_555 1_555 110(2) no H27 C16 H29 1_555 1_555 1_555 109.0(10) no H28 C16 H29 1_555 1_555 1_555 110.0(10) no N1 C17 C13 1_555 1_555 1_555 126.8(9) no N1 C17 C20 1_555 1_555 1_555 119.4(9) no C13 C17 C20 1_555 1_555 1_555 113.6(8) no C12 C18 C19 1_555 1_555 1_555 106.0(10) no C12 C18 H32 1_555 1_555 1_555 127.0(10) no C19 C18 H32 1_555 1_555 1_555 126.0(10) no N1 C19 C18 1_555 1_555 1_555 121.0(10) no N1 C19 H33 1_555 1_555 1_555 118.0(10) no C18 C19 H33 1_555 1_555 1_555 119.0(10) no C17 C20 H34 1_555 1_555 1_555 109.0(10) no C17 C20 H35 1_555 1_555 1_555 109.0(10) no C17 C20 H36 1_555 1_555 1_555 109.0(10) no H34 C20 H35 1_555 1_555 1_555 109.0(10) no H34 C20 H36 1_555 1_555 1_555 109.0(10) no H35 C20 H36 1_555 1_555 1_555 109.0(10) no _journal_paper_doi 10.1107/S0108270199012147