data_2203352
loop_
_publ_author_name
'Steel, Peter J.'
'Al-Mandhary, Muna R. A.'
_publ_section_title
;
1,4-Bis(8-quinolyloxymethyl)benzene
;
_journal_issue                 3
_journal_name_full             'Acta Crystallographica, Section E'
_journal_page_first            o346
_journal_page_last             o347
_journal_volume                60
_journal_year                  2004
_chemical_formula_iupac        'C26 H20 N2 O2'
_chemical_formula_moiety       'C26 H20 N2 O2'
_chemical_formula_sum          'C26 H20 N2 O2'
_chemical_formula_weight       392.44
_chemical_melting_point        ?
_chemical_name_common          ?
_chemical_name_systematic
;
1,4-Bis(8-quinolyloxymethyl)benzene
;
_symmetry_cell_setting         Monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary   direct
_atom_sites_solution_secondary difmap
_audit_creation_method         SHELXL-97
_cell_angle_alpha              90
_cell_angle_beta               113.604(3)
_cell_angle_gamma              90
_cell_formula_units_Z          4
_cell_length_a                 11.969(3)
_cell_length_b                 14.326(3)
_cell_length_c                 12.622(3)
_cell_measurement_reflns_used  5016
_cell_measurement_temperature  168(2)
_cell_measurement_theta_max    26.2
_cell_measurement_theta_min    2.3
_cell_volume                   1983.1(8)
_computing_cell_refinement     SMART
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_data_reduction      'SAINT (Bruker, 1997)'
_computing_molecular_graphics  'SHELXTL (Bruker, 1997)'
_computing_publication_material SHELXTL
_computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution  'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature    168(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device_type 'Bruker SMART CCD area-detector'
_diffrn_measurement_method     '\f and \w'
_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 0.043
_diffrn_reflns_av_sigmaI/netI  0.034
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_l_max     7
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_number          10845
_diffrn_reflns_theta_full      24.0
_diffrn_reflns_theta_max       24.0
_diffrn_reflns_theta_min       2.3
_diffrn_standards_decay_%      0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time ?
_diffrn_standards_number       0
_exptl_absorpt_coefficient_mu  0.084
_exptl_absorpt_correction_T_max 0.971
_exptl_absorpt_correction_T_min 0.751
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour          white
_exptl_crystal_density_diffrn  1.314
_exptl_crystal_density_meas    ?
_exptl_crystal_density_method  'not measured'
_exptl_crystal_description     block
_exptl_crystal_F_000           824
_exptl_crystal_size_max        0.54
_exptl_crystal_size_mid        0.40
_exptl_crystal_size_min        0.35
_refine_diff_density_max       0.59
_refine_diff_density_min       -0.18
_refine_ls_extinction_coef     ?
_refine_ls_extinction_method   none
_refine_ls_goodness_of_fit_ref 1.03
_refine_ls_hydrogen_treatment  mixed
_refine_ls_matrix_type         full
_refine_ls_number_parameters   271
_refine_ls_number_reflns       3060
_refine_ls_number_restraints   0
_refine_ls_restrained_S_all    1.03
_refine_ls_R_factor_all        0.055
_refine_ls_R_factor_gt         0.041
_refine_ls_shift/su_max        0.006
_refine_ls_shift/su_mean       0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0595P)^2^+0.382P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme    calc
_refine_ls_wR_factor_gt        0.100
_refine_ls_wR_factor_ref       0.107
_reflns_number_gt              2403
_reflns_number_total           3060
_reflns_threshold_expression   I>2\s(I)
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
C1 1.11608(17) 0.00727(12) 0.17387(14) 0.0295(4) Uani d . 1 . . C
C2 1.06858(18) -0.07887(12) 0.12610(15) 0.0328(4) Uani d . 1 . . C
H2A 1.1197 -0.1232 0.1114 0.039 Uiso calc R 1 . . H
C3 0.94720(18) -0.10094(13) 0.09961(15) 0.0337(5) Uani d . 1 . . C
H3A 0.9165 -0.1602 0.0672 0.040 Uiso calc R 1 . . H
C4 0.87054(17) -0.03757(13) 0.11988(14) 0.0310(4) Uani d . 1 . . C
C5 0.91729(18) 0.04976(13) 0.16636(15) 0.0342(4) Uani d . 1 . . C
H5A 0.8656 0.0945 0.1795 0.041 Uiso calc R 1 . . H
C6 1.03877(17) 0.07153(13) 0.19341(15) 0.0324(4) Uani d . 1 . . C
H6A 1.0696 0.1308 0.2256 0.039 Uiso calc R 1 . . H
C11 1.24910(17) 0.02777(12) 0.20522(16) 0.0333(4) Uani d . 1 . . C
H11A 1.2965 0.0146 0.2883 0.040 Uiso calc R 1 . . H
H11B 1.2804 -0.0128 0.1597 0.040 Uiso calc R 1 . . H
C21 0.74013(18) -0.06281(14) 0.09173(15) 0.0369(5) Uani d . 1 . . C
H21A 0.6855 -0.0123 0.0462 0.044 Uiso calc R 1 . . H
H21B 0.7185 -0.1210 0.0455 0.044 Uiso calc R 1 . . H
N11 1.27643(13) 0.29135(10) 0.09421(12) 0.0317(4) Uani d . 1 . . N
C12 1.28417(18) 0.37304(13) 0.04954(16) 0.0350(5) Uani d . 1 . . C
H12A 1.2113 0.4083 0.0146 0.042 Uiso calc R 1 . . H
C13 1.39229(18) 0.41184(13) 0.04974(17) 0.0371(5) Uani d . 1 . . C
H13A 1.3913 0.4708 0.0150 0.045 Uiso calc R 1 . . H
C14 1.49835(18) 0.36324(13) 0.10060(16) 0.0349(5) Uani d . 1 . . C
H14A 1.5727 0.3884 0.1028 0.042 Uiso calc R 1 . . H
C15 1.60325(17) 0.21882(13) 0.20312(15) 0.0331(4) Uani d . 1 . . C
H15A 1.6800 0.2415 0.2087 0.040 Uiso calc R 1 . . H
C16 1.59477(17) 0.13281(13) 0.24568(15) 0.0342(5) Uani d . 1 . . C
H16A 1.6660 0.0956 0.2798 0.041 Uiso calc R 1 . . H
C17 1.48148(17) 0.09799(13) 0.23985(15) 0.0323(4) Uani d . 1 . . C
H17A 1.4775 0.0378 0.2698 0.039 Uiso calc R 1 . . H
C18 1.37724(16) 0.15104(12) 0.19101(14) 0.0270(4) Uani d . 1 . . C
C19 1.38293(16) 0.24153(12) 0.14453(13) 0.0264(4) Uani d . 1 . . C
C20 1.49662(16) 0.27457(12) 0.15029(14) 0.0288(4) Uani d . 1 . . C
O1 1.26332(11) 0.12413(8) 0.18145(10) 0.0325(3) Uani d . 1 . . O
N21 0.71186(13) -0.10889(10) 0.40008(12) 0.0309(4) Uani d . 1 . . N
C22 0.70407(18) -0.12758(13) 0.49932(16) 0.0349(5) Uani d . 1 . . C
H22A 0.7726 -0.1133 0.5684 0.042 Uiso calc R 1 . . H
C23 0.60173(19) -0.16707(14) 0.51011(16) 0.0389(5) Uani d . 1 . . C
H23A 0.6024 -0.1793 0.5843 0.047 Uiso calc R 1 . . H
C24 0.50138(19) -0.18762(13) 0.41263(17) 0.0362(5) Uani d . 1 . . C
H24A 0.4310 -0.2139 0.4180 0.043 Uiso calc R 1 . . H
C25 0.40345(17) -0.18833(13) 0.19783(16) 0.0345(5) Uani d . 1 . . C
H25A 0.3303 -0.2137 0.1984 0.041 Uiso calc R 1 . . H
C26 0.41248(18) -0.17028(13) 0.09569(16) 0.0369(5) Uani d . 1 . . C
H26A 0.3453 -0.1838 0.0252 0.044 Uiso calc R 1 . . H
C27 0.51978(17) -0.13180(12) 0.09212(16) 0.0335(5) Uani d . 1 . . C
H27A 0.5236 -0.1196 0.0197 0.040 Uiso calc R 1 . . H
C28 0.61814(16) -0.11202(11) 0.19225(15) 0.0269(4) Uani d . 1 . . C
C29 0.61251(16) -0.13021(11) 0.30186(15) 0.0265(4) Uani d . 1 . . C
C30 0.50370(16) -0.16915(12) 0.30336(15) 0.0294(4) Uani d . 1 . . C
O2 0.72674(11) -0.07583(8) 0.19929(9) 0.0304(3) Uani d . 1 . . O
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
C1 0.0359(11) 0.0303(10) 0.0254(9) -0.0022(8) 0.0156(8) 0.0044(7)
C2 0.0393(12) 0.0303(10) 0.0346(10) 0.0002(8) 0.0209(9) -0.0003(8)
C3 0.0425(12) 0.0295(10) 0.0324(10) -0.0073(9) 0.0185(9) -0.0014(8)
C4 0.0362(11) 0.0377(11) 0.0225(9) -0.0058(9) 0.0153(8) 0.0022(8)
C5 0.0371(12) 0.0354(11) 0.0349(10) 0.0028(9) 0.0196(9) 0.0009(8)
C6 0.0371(12) 0.0285(10) 0.0330(10) -0.0048(8) 0.0155(9) -0.0027(7)
C11 0.0376(11) 0.0281(10) 0.0371(10) -0.0021(8) 0.0178(9) 0.0031(8)
C21 0.0399(12) 0.0473(12) 0.0256(10) -0.0068(9) 0.0153(9) 0.0026(8)
N11 0.0312(9) 0.0309(9) 0.0332(8) 0.0012(7) 0.0130(7) 0.0001(6)
C12 0.0325(11) 0.0311(11) 0.0406(11) 0.0036(9) 0.0139(9) 0.0044(8)
C13 0.0397(13) 0.0311(11) 0.0433(11) -0.0003(9) 0.0195(10) 0.0059(8)
C14 0.0346(12) 0.0344(11) 0.0394(11) -0.0075(9) 0.0187(9) -0.0021(8)
C15 0.0264(11) 0.0383(11) 0.0352(10) -0.0033(8) 0.0129(9) -0.0052(8)
C16 0.0289(11) 0.0381(11) 0.0343(11) 0.0044(9) 0.0114(9) -0.0012(8)
C17 0.0374(12) 0.0303(10) 0.0312(10) 0.0011(8) 0.0159(9) 0.0026(8)
C18 0.0284(11) 0.0293(10) 0.0254(9) -0.0019(8) 0.0130(8) -0.0026(7)
C19 0.0272(10) 0.0297(10) 0.0224(9) -0.0006(8) 0.0101(8) -0.0047(7)
C20 0.0295(11) 0.0324(10) 0.0262(9) -0.0031(8) 0.0129(8) -0.0051(7)
O1 0.0301(8) 0.0287(7) 0.0421(8) -0.0010(6) 0.0182(6) 0.0038(5)
N21 0.0294(9) 0.0348(9) 0.0298(9) -0.0011(7) 0.0132(7) -0.0028(6)
C22 0.0358(12) 0.0416(12) 0.0278(10) -0.0018(9) 0.0133(9) -0.0026(8)
C23 0.0480(14) 0.0436(12) 0.0324(11) -0.0006(10) 0.0237(10) 0.0014(8)
C24 0.0389(12) 0.0330(11) 0.0469(12) -0.0011(9) 0.0281(10) 0.0017(9)
C25 0.0242(11) 0.0315(11) 0.0462(12) -0.0029(8) 0.0123(9) 0.0023(8)
C26 0.0288(11) 0.0385(11) 0.0357(11) -0.0042(9) 0.0048(9) -0.0005(8)
C27 0.0347(12) 0.0356(11) 0.0285(10) -0.0006(9) 0.0110(9) 0.0005(8)
C28 0.0255(10) 0.0252(9) 0.0307(10) -0.0004(8) 0.0118(8) -0.0001(7)
C29 0.0249(10) 0.0244(9) 0.0302(10) 0.0009(8) 0.0111(8) -0.0022(7)
C30 0.0294(11) 0.0226(9) 0.0390(10) 0.0014(8) 0.0167(9) 0.0004(8)
O2 0.0288(7) 0.0393(8) 0.0258(6) -0.0068(6) 0.0135(6) -0.0014(5)
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'
O O 0.0106 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 118.49(17) ?
C2 C1 C11 . . 119.47(16) ?
C6 C1 C11 . . 122.03(16) ?
C3 C2 C1 . . 120.81(17) ?
C3 C2 H2A . . 119.6 ?
C1 C2 H2A . . 119.6 ?
C4 C3 C2 . . 120.81(17) ?
C4 C3 H3A . . 119.6 ?
C2 C3 H3A . . 119.6 ?
C3 C4 C5 . . 118.67(17) ?
C3 C4 C21 . . 120.11(17) ?
C5 C4 C21 . . 121.21(17) ?
C6 C5 C4 . . 120.46(17) ?
C6 C5 H5A . . 119.8 ?
C4 C5 H5A . . 119.8 ?
C5 C6 C1 . . 120.75(17) ?
C5 C6 H6A . . 119.6 ?
C1 C6 H6A . . 119.6 ?
O1 C11 C1 . . 109.46(15) ?
O1 C11 H11A . . 109.8 ?
C1 C11 H11A . . 109.8 ?
O1 C11 H11B . . 109.8 ?
C1 C11 H11B . . 109.8 ?
H11A C11 H11B . . 108.2 ?
O2 C21 C4 . . 107.80(14) ?
O2 C21 H21A . . 110.1 ?
C4 C21 H21A . . 110.1 ?
O2 C21 H21B . . 110.1 ?
C4 C21 H21B . . 110.1 ?
H21A C21 H21B . . 108.5 ?
C12 N11 C19 . . 116.59(16) ?
N11 C12 C13 . . 124.88(18) ?
N11 C12 H12A . . 117.6 ?
C13 C12 H12A . . 117.6 ?
C14 C13 C12 . . 118.79(18) ?
C14 C13 H13A . . 120.6 ?
C12 C13 H13A . . 120.6 ?
C13 C14 C20 . . 119.31(18) ?
C13 C14 H14A . . 120.3 ?
C20 C14 H14A . . 120.3 ?
C16 C15 C20 . . 119.78(17) ?
C16 C15 H15A . . 120.1 ?
C20 C15 H15A . . 120.1 ?
C15 C16 C17 . . 121.16(18) ?
C15 C16 H16A . . 119.4 ?
C17 C16 H16A . . 119.4 ?
C18 C17 C16 . . 120.31(17) ?
C18 C17 H17A . . 119.8 ?
C16 C17 H17A . . 119.8 ?
O1 C18 C17 . . 124.97(16) ?
O1 C18 C19 . . 115.15(15) ?
C17 C18 C19 . . 119.88(17) ?
N11 C19 C20 . . 123.02(16) ?
N11 C19 C18 . . 118.08(16) ?
C20 C19 C18 . . 118.89(16) ?
C19 C20 C14 . . 117.40(17) ?
C19 C20 C15 . . 119.96(16) ?
C14 C20 C15 . . 122.64(17) ?
C18 O1 C11 . . 116.56(14) ?
C22 N21 C29 . . 116.72(15) ?
N21 C22 C23 . . 124.71(18) ?
N21 C22 H22A . . 117.6 ?
C23 C22 H22A . . 117.6 ?
C24 C23 C22 . . 119.13(17) ?
C24 C23 H23A . . 120.4 ?
C22 C23 H23A . . 120.4 ?
C23 C24 C30 . . 119.00(17) ?
C23 C24 H24A . . 120.5 ?
C30 C24 H24A . . 120.5 ?
C26 C25 C30 . . 119.66(17) ?
C26 C25 H25A . . 120.2 ?
C30 C25 H25A . . 120.2 ?
C25 C26 C27 . . 121.44(17) ?
C25 C26 H26A . . 119.3 ?
C27 C26 H26A . . 119.3 ?
C28 C27 C26 . . 120.50(17) ?
C28 C27 H27A . . 119.7 ?
C26 C27 H27A . . 119.7 ?
O2 C28 C27 . . 125.59(16) ?
O2 C28 C29 . . 114.57(15) ?
C27 C28 C29 . . 119.84(16) ?
N21 C29 C30 . . 122.97(16) ?
N21 C29 C28 . . 118.34(15) ?
C30 C29 C28 . . 118.68(16) ?
C24 C30 C25 . . 122.67(17) ?
C24 C30 C29 . . 117.46(17) ?
C25 C30 C29 . . 119.87(16) ?
C28 O2 C21 . . 116.65(13) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.391(3) ?
C1 C6 . 1.395(3) ?
C1 C11 . 1.508(3) ?
C2 C3 . 1.390(3) ?
C2 H2A . 0.9500 ?
C3 C4 . 1.385(3) ?
C3 H3A . 0.9500 ?
C4 C5 . 1.400(3) ?
C4 C21 . 1.500(3) ?
C5 C6 . 1.389(3) ?
C5 H5A . 0.9500 ?
C6 H6A . 0.9500 ?
C11 O1 . 1.437(2) ?
C11 H11A . 0.9900 ?
C11 H11B . 0.9900 ?
C21 O2 . 1.442(2) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
N11 C12 . 1.318(2) ?
N11 C19 . 1.375(2) ?
C12 C13 . 1.408(3) ?
C12 H12A . 0.9500 ?
C13 C14 . 1.362(3) ?
C13 H13A . 0.9500 ?
C14 C20 . 1.421(3) ?
C14 H14A . 0.9500 ?
C15 C16 . 1.364(3) ?
C15 C20 . 1.425(3) ?
C15 H15A . 0.9500 ?
C16 C17 . 1.419(3) ?
C16 H16A . 0.9500 ?
C17 C18 . 1.378(3) ?
C17 H17A . 0.9500 ?
C18 O1 . 1.375(2) ?
C18 C19 . 1.436(2) ?
C19 C20 . 1.415(2) ?
N21 C22 . 1.320(2) ?
N21 C29 . 1.365(2) ?
C22 C23 . 1.404(3) ?
C22 H22A . 0.9500 ?
C23 C24 . 1.364(3) ?
C23 H23A . 0.9500 ?
C24 C30 . 1.416(2) ?
C24 H24A . 0.9500 ?
C25 C26 . 1.361(3) ?
C25 C30 . 1.418(3) ?
C25 H25A . 0.9500 ?
C26 C27 . 1.415(3) ?
C26 H26A . 0.9500 ?
C27 C28 . 1.368(3) ?
C27 H27A . 0.9500 ?
C28 O2 . 1.369(2) ?
C28 C29 . 1.436(2) ?
C29 C30 . 1.424(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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -0.7(3) ?
C11 C1 C2 C3 . . . . 177.99(16) ?
C1 C2 C3 C4 . . . . 0.2(3) ?
C2 C3 C4 C5 . . . . 0.8(3) ?
C2 C3 C4 C21 . . . . -179.48(15) ?
C3 C4 C5 C6 . . . . -1.1(3) ?
C21 C4 C5 C6 . . . . 179.12(16) ?
C4 C5 C6 C1 . . . . 0.6(3) ?
C2 C1 C6 C5 . . . . 0.3(3) ?
C11 C1 C6 C5 . . . . -178.33(16) ?
C2 C1 C11 O1 . . . . 143.48(16) ?
C6 C1 C11 O1 . . . . -37.8(2) ?
C3 C4 C21 O2 . . . . 108.95(17) ?
C5 C4 C21 O2 . . . . -71.3(2) ?
C19 N11 C12 C13 . . . . 0.1(3) ?
N11 C12 C13 C14 . . . . -0.8(3) ?
C12 C13 C14 C20 . . . . 0.9(3) ?
C20 C15 C16 C17 . . . . -0.9(3) ?
C15 C16 C17 C18 . . . . -0.2(3) ?
C16 C17 C18 O1 . . . . -179.74(15) ?
C16 C17 C18 C19 . . . . 0.7(2) ?
C12 N11 C19 C20 . . . . 0.5(2) ?
C12 N11 C19 C18 . . . . -178.18(15) ?
O1 C18 C19 N11 . . . . -1.0(2) ?
C17 C18 C19 N11 . . . . 178.55(15) ?
O1 C18 C19 C20 . . . . -179.73(14) ?
C17 C18 C19 C20 . . . . -0.2(2) ?
N11 C19 C20 C14 . . . . -0.4(2) ?
C18 C19 C20 C14 . . . . 178.28(15) ?
N11 C19 C20 C15 . . . . -179.58(15) ?
C18 C19 C20 C15 . . . . -0.9(2) ?
C13 C14 C20 C19 . . . . -0.4(3) ?
C13 C14 C20 C15 . . . . 178.83(17) ?
C16 C15 C20 C19 . . . . 1.5(2) ?
C16 C15 C20 C14 . . . . -177.70(17) ?
C17 C18 O1 C11 . . . . -11.7(2) ?
C19 C18 O1 C11 . . . . 167.84(14) ?
C1 C11 O1 C18 . . . . -171.70(13) ?
C29 N21 C22 C23 . . . . -0.2(3) ?
N21 C22 C23 C24 . . . . -0.6(3) ?
C22 C23 C24 C30 . . . . 0.5(3) ?
C30 C25 C26 C27 . . . . -0.6(3) ?
C25 C26 C27 C28 . . . . 0.3(3) ?
C26 C27 C28 O2 . . . . 179.22(16) ?
C26 C27 C28 C29 . . . . -0.1(3) ?
C22 N21 C29 C30 . . . . 1.1(2) ?
C22 N21 C29 C28 . . . . -179.19(15) ?
O2 C28 C29 N21 . . . . 1.1(2) ?
C27 C28 C29 N21 . . . . -179.43(16) ?
O2 C28 C29 C30 . . . . -179.15(14) ?
C27 C28 C29 C30 . . . . 0.3(2) ?
C23 C24 C30 C25 . . . . -179.98(17) ?
C23 C24 C30 C29 . . . . 0.4(3) ?
C26 C25 C30 C24 . . . . -178.92(17) ?
C26 C25 C30 C29 . . . . 0.7(3) ?
N21 C29 C30 C24 . . . . -1.2(2) ?
C28 C29 C30 C24 . . . . 179.09(15) ?
N21 C29 C30 C25 . . . . 179.13(16) ?
C28 C29 C30 C25 . . . . -0.6(2) ?
C27 C28 O2 C21 . . . . -3.8(2) ?
C29 C28 O2 C21 . . . . 175.56(14) ?
C4 C21 O2 C28 . . . . -171.10(14) ?