Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_global _database_code_CSD 163024 #=============================================================================== _audit_creation_date 28-05-01 _journal_coden_Cambridge 182 # 1. SUBMISSION DETAILS _publ_contact_author_name 'Prof M Hosseini' _publ_contact_author_address ; Prof M Hosseini Laboratoire de Chimie de Coordination Organique Universite Louis Pasteur 4 rue Blaise Pascal 67000 Strasbourg FRANCE ; _publ_contact_author_email 'HOSSEINI@CHIMIE.U-STRASBG.FR' _publ_requested_category FM #=============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #=============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; Double stranded interwound infinite linear silver coordination network ; loop_ _publ_author_name 'de Cian, Andre' 'Hosseini, M.' 'Jouaiti, Abdelaziz' 'Schmalz, Bruno' # 4. TEXT _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C., Polidori, G., Spagna, R. &Viterbo, D. (1989). SIR. J. Appl. Cryst. 22, 389-393. OpenMoleN, Interactive Intelligent Structure solution (1997) Nonius B.V., Delft, The Netherlands. KappaCCD Operation Manual (1997), Nonius B.V., Delft, The Nederlands. Otwinowski, Z. & Minor, W. (1997), Methods in Enzymology, 276, 307-326. Walker, N. & Stuart, D. (1983). Acta Cryst., A39, 158-166. ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #=============================================================================== # If more than one structure is reported, sections 5-10 should be filled in # per structure. For each data set, replace the ? in the data_? line below # by a unique identifier. data_st891 #=============================================================================== # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C24 H32 Ag Cl N2 O13' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C24 H32 Ag Cl N2 O13' _chemical_formula_weight 699.85 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C ? 0.002 0.002 International_Tables_Vol_IV_Table_2.3.1 H ? 0.000 0.000 International_Tables_Vol_IV_Table_2.3.1 Ag ? -1.085 1.101 International_Tables_Vol_IV_Table_2.3.1 Cl ? 0.132 0.159 International_Tables_Vol_IV_Table_2.3.1 N ? 0.004 0.003 International_Tables_Vol_IV_Table_2.3.1 O ? 0.008 0.006 International_Tables_Vol_IV_Table_2.3.1 #=============================================================================== # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' -x,+y,1/2-z -x,-y,-z +x,-y,1/2+z 1/2+x,1/2+y,+z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,-z 1/2+x,1/2-y,1/2+z _cell_length_a 34.290(4) _cell_length_b 10.902(2) _cell_length_c 19.323(4) _cell_angle_alpha 90 _cell_angle_beta 114.855(5) _cell_angle_gamma 90 _cell_volume 6554(1) _cell_formula_units_Z 8 _cell_measurement_temperature 173 _cell_measurement_reflns_used 9414 _cell_measurement_theta_min 1.4 _cell_measurement_theta_max 27.4 _cell_special_details ; Cell parameters refined using Scalepack part of DENZO Z. Otwinowski, W. Minor, 1997 ; _exptl_crystal_description prism _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.42 _exptl_crystal_density_method 'none' _exptl_crystal_F_000 2864 _exptl_absorpt_coefficient_mu 0.756 _exptl_absorpt_correction_type refdelf_(Walker_&_Stuart,_1983) _exptl_absorpt_correction_T_min 0.4632 _exptl_absorpt_correction_T_max 1.0000 #=============================================================================== # 7. EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 173 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type Mo-K\a _diffrn_source xray_tube _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_measurement_details ; 9414 reflections were collected using program Collect ("Collect" Data collection software, Nonius B.V., 1998) The conditions were as follow : crystal to detector distance = 36. mm. Scan angle = 1.8 deg 1 scans of 60 sec per frame. Data collection was divided into 1 set(s) with the following starting angles and number of frames : Set 1 Theta = 6.30 Omega = 0.00 Kappa = 0.00 115 frames Friedel pairs were averaged. Internal R = 0.04 ; _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 9414 _diffrn_reflns_av_R_equivalents 0.040 _diffrn_reflns_av_sigmaI/netI 0.333 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 42 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.5 _diffrn_reflns_theta_max 27.43 _reflns_number_total 6012 _reflns_number_gt 2352 _reflns_threshold_expression >3.0\s(I) _computing_structure_solution Direct_methods_(SIR,_Burla_et_al.,_1989) _computing_structure_refinement LSFM_OpenMoleN_(_1997) _computing_molecular_graphics ? _computing_publication_material CIFGEN_IN_OpenMoleN_(_1997) #=============================================================================== # 8. REFINEMENT DATA _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_expression ? _refine_ls_extinction_coef ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 2352 _refine_ls_number_parameters 369 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.195 _refine_ls_R_factor_gt 0.077 _refine_ls_wR_factor_all 0.547 _refine_ls_wR_factor_ref 0.115 _refine_ls_goodness_of_fit_all 7.706 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_shift/su_max 0.026 _refine_ls_shift/esd_mean 0.003 _refine_diff_density_max 0.736 _refine_diff_density_min -0.356 #=============================================================================== # 9. ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom _atom_site_type_symbol AG -0.14191(5) 0.4725(2) 0.00031(8) 0.0559(7) 1.000 Uani ? ? Ag N1 -0.1940(4) 0.559(1) 0.0163(7) 0.046(8) 1.000 Uani ? ? N C1 -0.2341(5) 0.543(2) -0.0386(9) 0.05(1) 1.000 Uani ? ? C C2 -0.2698(5) 0.575(2) -0.0296(9) 0.04(1) 1.000 Uani ? ? C C3 -0.2653(5) 0.626(2) 0.0404(9) 0.038(9) 1.000 Uani ? ? C C4 -0.2248(5) 0.643(2) 0.0956(9) 0.04(1) 1.000 Uani ? ? C C5 -0.1901(5) 0.607(2) 0.0825(9) 0.04(1) 1.000 Uani ? ? C C6 -0.3046(6) 0.659(2) 0.050(1) 0.05(1) 1.000 Uani ? ? C O1 -0.3409(4) 0.641(2) -0.0005(7) 0.063(9) 1.000 Uani ? ? O O2 -0.2977(3) 0.704(1) 0.1169(6) 0.049(7) 1.000 Uani ? ? O C7 -0.3360(6) 0.739(2) 0.127(1) 0.07(1) 1.000 Uani ? ? C C8 -0.3233(6) 0.833(2) 0.188(1) 0.06(1) 1.000 Uani ? ? C O3 -0.3095(4) 0.938(1) 0.1637(6) 0.051(7) 1.000 Uani ? ? O C9 -0.2984(6) 1.031(2) 0.219(1) 0.06(1) 1.000 Uani ? ? C C10 -0.2803(7) 1.134(2) 0.193(1) 0.07(1) 1.000 Uani ? ? C O4 -0.3112(4) 1.177(1) 0.1204(7) 0.065(8) 1.000 Uani ? ? O C11 -0.2996(7) 1.295(2) 0.096(1) 0.09(2) 1.000 Uani ? ? C C12 -0.329(1) 1.325(2) 0.022(2) 0.10(2) 1.000 Uani ? ? C O5 -0.3294(7) 1.241(2) -0.0335(9) 0.11(1) 1.000 Uani ? ? O C13 -0.367(1) 1.298(4) -0.106(2) 0.09(1) 0.600 Uiso ? ? C C14 -0.368(1) 1.241(2) -0.169(1) 0.09(2) 1.000 Uani ? ? C O6 -0.3805(5) 1.114(2) -0.1745(7) 0.07(1) 1.000 Uani ? ? O C15 -0.4221(8) 1.089(3) -0.229(1) 0.08(2) 1.000 Uani ? ? C C16 -0.4318(7) 0.960(2) -0.240(1) 0.07(1) 1.000 Uani ? ? C O7 -0.4319(4) 0.911(1) -0.1711(7) 0.067(8) 1.000 Uani ? ? O C17 -0.4352(6) 0.781(2) -0.172(1) 0.07(1) 1.000 Uani ? ? C C18 -0.4327(6) 0.742(2) -0.097(1) 0.07(1) 1.000 Uani ? ? C O8 -0.4718(3) 0.771(1) -0.0895(7) 0.062(8) 1.000 Uani ? ? O C19 -0.4681(6) 0.795(2) -0.018(1) 0.06(1) 1.000 Uani ? ? C O9 -0.4348(4) 0.795(1) 0.0371(8) 0.072(9) 1.000 Uani ? ? O C20 -0.5100(5) 0.828(2) -0.017(1) 0.04(1) 1.000 Uani ? ? C C21 -0.5488(5) 0.810(2) -0.0771(9) 0.04(1) 1.000 Uani ? ? C C22 -0.5852(6) 0.849(2) -0.0711(9) 0.04(1) 1.000 Uani ? ? C N2 -0.5850(4) 0.902(1) -0.0084(8) 0.045(8) 1.000 Uani ? ? N C23 -0.5466(6) 0.916(2) 0.050(1) 0.05(1) 1.000 Uani ? ? C C24 -0.5090(6) 0.878(2) 0.048(1) 0.06(1) 1.000 Uani ? ? C CL 0.1506(2) 0.0985(5) -0.2553(3) 0.062(3) 1.000 Uani ? ? Cl O10 0.1347(7) 0.037(2) -0.212(1) 0.16(1) 1.000 Uani ? ? O O11 0.1327(7) 0.069(2) -0.3340(9) 0.10(1) 1.000 Uani ? ? O O12 0.1425(5) 0.224(1) -0.2502(8) 0.085(9) 1.000 Uani ? ? O O13 0.1966(5) 0.088(2) -0.224(1) 0.13(1) 1.000 Uani ? ? O C13a -0.328(1) 1.256(5) -0.114(2) 0.05(1) 0.400 Uiso ? ? C H1 -0.2374 0.5086 -0.0858 0.0708 1.000 Uiso calc C1 H H2 -0.2975 0.5639 -0.0699 0.0648 1.000 Uiso calc C2 H H3 -0.2207 0.6790 0.1429 0.0555 1.000 Uiso calc C4 H H4 -0.1621 0.6180 0.1221 0.0612 1.000 Uiso calc C5 H H5 -0.3475 0.6694 0.1420 0.0836 1.000 Uiso calc C7 H H6 -0.3571 0.7718 0.0812 0.0836 1.000 Uiso calc C7 H H7 -0.3006 0.8016 0.2326 0.0816 1.000 Uiso calc C8 H H8 -0.3472 0.8519 0.1986 0.0816 1.000 Uiso calc C8 H H9 -0.2777 1.0013 0.2663 0.0912 1.000 Uiso calc C9 H H10 -0.3233 1.0576 0.2248 0.0912 1.000 Uiso calc C9 H H11 -0.2552 1.1072 0.1881 0.1012 1.000 Uiso calc C10 H H12 -0.2731 1.1987 0.2291 0.1012 1.000 Uiso calc C10 H H13 -0.2717 1.2884 0.0977 0.1151 1.000 Uiso calc C11 H H14 -0.2997 1.3576 0.1305 0.1151 1.000 Uiso calc C11 H H15 -0.3221 1.4036 0.0101 0.1818 1.000 Uiso calc C12 H H16 -0.3570 1.3264 0.0213 0.1818 1.000 Uiso calc C12 H H17 -0.4250 1.1233 -0.2767 0.1270 1.000 Uiso calc C15 H H18 -0.4421 1.1275 -0.2140 0.1270 1.000 Uiso calc C15 H H19 -0.4107 0.9193 -0.2514 0.1008 1.000 Uiso calc C16 H H20 -0.4593 0.9486 -0.2811 0.1008 1.000 Uiso calc C16 H H21 -0.4123 0.7451 -0.1807 0.0925 1.000 Uiso calc C17 H H22 -0.4619 0.7557 -0.2114 0.0925 1.000 Uiso calc C17 H H23 -0.4093 0.7827 -0.0579 0.1006 1.000 Uiso calc C18 H H24 -0.4281 0.6557 -0.0916 0.1006 1.000 Uiso calc C18 H H25 -0.5506 0.7723 -0.1225 0.0618 1.000 Uiso calc C21 H H26 -0.6120 0.8370 -0.1135 0.0660 1.000 Uiso calc C22 H H27 -0.5454 0.9539 0.0952 0.0743 1.000 Uiso calc C23 H H28 -0.4825 0.8871 0.0922 0.0875 1.000 Uiso calc C24 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 _atom_site_aniso_type_symbol AG 0.0542(6) 0.0527(7) 0.0613(7) 0.0021(9) 0.0285(5) -0.0056(9) Ag N1 0.043(7) 0.043(9) 0.052(7) 0.009(6) 0.027(5) 0.003(7) N C1 0.05(1) 0.07(1) 0.038(9) -0.01(1) 0.009(7) -0.01(1) C C2 0.035(9) 0.07(1) 0.035(9) -0.002(9) 0.005(7) -0.001(9) C C3 0.027(8) 0.05(1) 0.040(8) 0.005(8) 0.014(6) 0.012(8) C C4 0.042(9) 0.05(1) 0.026(8) 0.004(9) 0.008(6) 0.002(8) C C5 0.031(9) 0.07(1) 0.040(9) 0.004(9) 0.013(6) 0.006(9) C C6 0.05(1) 0.04(1) 0.05(1) 0.005(9) 0.009(7) 0.019(9) C O1 0.039(7) 0.11(1) 0.057(8) 0.006(8) 0.007(6) -0.016(8) O O2 0.044(6) 0.069(9) 0.037(6) 0.008(6) 0.017(4) -0.000(6) O C7 0.07(1) 0.06(1) 0.08(1) 0.01(1) 0.044(7) 0.00(1) C C8 0.07(1) 0.08(1) 0.049(9) 0.03(1) 0.029(7) 0.01(1) C O3 0.056(7) 0.08(1) 0.029(6) -0.003(7) 0.009(5) -0.017(6) O C9 0.08(1) 0.08(1) 0.03(1) 0.02(1) 0.008(9) -0.01(1) C C10 0.06(1) 0.09(2) 0.06(1) 0.02(1) 0.00(1) -0.03(1) C O4 0.063(8) 0.08(1) 0.055(7) -0.013(7) 0.017(6) -0.014(7) O C11 0.09(1) 0.09(2) 0.08(1) -0.04(1) 0.03(1) -0.03(1) C C12 0.18(3) 0.04(1) 0.15(2) -0.03(2) 0.02(2) 0.03(1) C O5 0.21(2) 0.10(1) 0.07(1) -0.08(1) 0.03(1) -0.01(1) O C14 0.20(2) 0.04(1) 0.07(1) -0.02(2) 0.05(1) -0.01(1) C O6 0.11(1) 0.09(1) 0.039(8) -0.00(1) 0.006(7) -0.000(8) O C15 0.11(2) 0.14(2) 0.04(1) 0.02(2) 0.02(1) 0.01(1) C C16 0.08(1) 0.11(2) 0.04(1) 0.00(1) 0.017(8) 0.01(1) C O7 0.075(8) 0.09(1) 0.045(6) 0.015(8) 0.025(5) -0.006(7) O C17 0.06(1) 0.07(1) 0.08(1) 0.00(1) 0.035(8) -0.02(1) C C18 0.05(1) 0.07(2) 0.11(1) 0.01(1) 0.034(9) 0.01(1) C O8 0.033(6) 0.09(1) 0.081(7) 0.018(6) 0.028(5) 0.011(8) O C19 0.05(1) 0.07(1) 0.08(1) 0.01(1) 0.032(8) 0.01(1) C O9 0.043(7) 0.10(1) 0.08(1) 0.023(8) 0.003(7) -0.008(9) O C20 0.042(9) 0.03(1) 0.06(1) 0.001(8) 0.017(7) -0.007(9) C C21 0.033(9) 0.07(1) 0.037(9) 0.006(9) 0.010(6) -0.009(9) C C22 0.06(1) 0.06(1) 0.024(9) -0.01(1) 0.009(7) -0.008(9) C N2 0.038(7) 0.05(1) 0.044(7) 0.001(7) 0.013(5) 0.003(7) N C23 0.06(1) 0.05(1) 0.05(1) -0.00(1) 0.013(8) -0.01(1) C C24 0.05(1) 0.08(1) 0.04(1) 0.01(1) -0.01(1) -0.01(1) C CL 0.081(3) 0.067(4) 0.043(3) 0.004(3) 0.012(2) 0.005(3) Cl O10 0.22(2) 0.14(2) 0.13(1) -0.07(1) 0.07(1) 0.04(1) O O11 0.19(2) 0.12(2) 0.044(9) 0.01(1) 0.00(1) -0.02(1) O O12 0.12(1) 0.06(1) 0.087(9) 0.000(8) 0.046(7) -0.011(8) O O13 0.09(1) 0.21(2) 0.11(1) 0.07(1) 0.01(1) 0.01(1) O # 10. MOLECULAR GEOMETRY 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 AG N1 2.15(1) . . ? AG N2 2.17(2) . 5_545 ? N1 C1 1.35(2) . . ? N1 C5 1.34(2) . . ? C1 C2 1.35(3) . . ? C2 C3 1.40(3) . . ? C3 C4 1.36(2) . . ? C3 C6 1.48(3) . . ? C4 C5 1.37(2) . . ? C6 O1 1.23(2) . . ? C6 O2 1.31(2) . . ? O2 C7 1.46(2) . . ? C7 C8 1.47(3) . . ? C8 O3 1.40(3) . . ? O3 C9 1.40(3) . . ? C9 C10 1.47(3) . . ? C10 O4 1.43(3) . . ? O4 C11 1.47(3) . . ? C11 C12 1.40(4) . . ? C12 O5 1.41(4) . . ? O5 C13 1.58(5) . . ? O5 C13a 1.58(5) . . ? C13 C14 1.35(5) . . ? C13 C13a 1.48(6) . . ? C14 O6 1.44(3) . . ? C14 C13a 1.35(6) . . ? O6 C15 1.40(3) . . ? C15 C16 1.44(4) . . ? C16 O7 1.44(3) . . ? O7 C17 1.43(3) . . ? C17 C18 1.48(3) . . ? C18 O8 1.45(2) . . ? O8 C19 1.35(3) . . ? C19 O9 1.19(3) . . ? C19 C20 1.49(3) . . ? C20 C21 1.36(3) . . ? C20 C24 1.37(3) . . ? C21 C22 1.37(3) . . ? C22 N2 1.34(2) . . ? N2 C23 1.33(2) . . ? C23 C24 1.37(3) . . ? CL O10 1.36(2) . . ? CL O11 1.42(2) . . ? CL O12 1.40(2) . . ? CL O13 1.44(2) . . ? loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag ? ? ? ? ? ? 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 AG N2 173.6(6) . . 5_545 ? AG N1 C1 117(1) . . . ? AG N1 C5 123(1) . . . ? C1 N1 C5 117(1) . . . ? N1 C1 C2 123(1) . . . ? C1 C2 C3 118(1) . . . ? C2 C3 C4 118(1) . . . ? C2 C3 C6 118(1) . . . ? C4 C3 C6 123(1) . . . ? C3 C4 C5 119(1) . . . ? N1 C5 C4 122(1) . . . ? C3 C6 O1 122(2) . . . ? C3 C6 O2 114(1) . . . ? O1 C6 O2 123(2) . . . ? C6 O2 C7 115(1) . . . ? O2 C7 C8 107(1) . . . ? C7 C8 O3 109(1) . . . ? C8 O3 C9 111(1) . . . ? O3 C9 C10 107(1) . . . ? C9 C10 O4 109(1) . . . ? C10 O4 C11 114(1) . . . ? O4 C11 C12 110(2) . . . ? C11 C12 O5 113(2) . . . ? C12 O5 C13 99(2) . . . ? C12 O5 C13a 134(2) . . . ? C13 O5 C13a 56(2) . . . ? O5 C13 C14 108(3) . . . ? O5 C13 C13a 62(2) . . . ? C14 C13 C13a 56(2) . . . ? C13 C14 O6 113(2) . . . ? C13 C14 C13a 66(2) . . . ? O6 C14 C13a 110(3) . . . ? C14 O6 C15 114(2) . . . ? O6 C15 C16 113(2) . . . ? C15 C16 O7 108(2) . . . ? C16 O7 C17 112(1) . . . ? O7 C17 C18 107(1) . . . ? C17 C18 O8 111(1) . . . ? C18 O8 C19 116(1) . . . ? O8 C19 O9 124(2) . . . ? O8 C19 C20 112(2) . . . ? O9 C19 C20 123(2) . . . ? C19 C20 C21 124(2) . . . ? C19 C20 C24 117(2) . . . ? C21 C20 C24 118(1) . . . ? C20 C21 C22 119(1) . . . ? C21 C22 N2 123(1) . . . ? C22 N2 C23 116(1) . . . ? N2 C23 C24 123(1) . . . ? C20 C24 C23 118(1) . . . ? O10 CL O11 116(1) . . . ? O10 CL O12 107(1) . . . ? O10 CL O13 110(1) . . . ? O11 CL O12 106(1) . . . ? O11 CL O13 109(1) . . . ? O12 CL O13 105(1) . . . ? O5 C13a C13 61(2) . . . ? O5 C13a C14 108(3) . . . ? C13 C13a C14 56(2) . . . ?