#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:59:05 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272750 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/84/7158430.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7158430
loop_
_publ_author_name
'Baire, Beeraiah'
'Santhi, Jampani'
_publ_section_title
;
 Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes
 via a [4 + 2] cycloaddition of benzopyrylium ions: access to
 structurally unique naphthalenes.
;
_journal_issue                   1
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.1039/d1ob02229f
_journal_volume                  20
_journal_year                    2021
_chemical_formula_moiety         'C34 H20 O2'
_chemical_formula_sum            'C34 H20 O2'
_chemical_formula_weight         460.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-11-14 deposited with the CCDC.	2021-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.472(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   31.9258(15)
_cell_length_b                   18.7977(9)
_cell_length_c                   8.2450(4)
_cell_measurement_reflns_used    9993
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.63
_cell_measurement_theta_min      3.16
_cell_volume                     4916.6(4)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker axs kappa apex3 CMOS Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_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  0.0414
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            38103
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         3.314
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.7140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       block
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4306
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0832P)²+3.8362P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1763
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3169
_reflns_number_total             4306
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob02229f2.cif
_cod_data_source_block           SA8
_cod_depositor_comments
'Adding full bibliography for 7158428--7158430.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7158430
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.970
_shelx_estimated_absorpt_t_max   0.992
loop_
_space_group_symop_operation_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'
'-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_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.79306(9) 0.56388(15) 0.3036(4) 0.0707(8) Uani 1 1 d . . . . .
H1 H 0.8019 0.6090 0.2760 0.085 Uiso 1 1 calc R U . . .
C2 C 0.81659(11) 0.5057(2) 0.2718(5) 0.0901(11) Uani 1 1 d . . . . .
H2 H 0.8412 0.5119 0.2226 0.108 Uiso 1 1 calc R U . . .
C3 C 0.80481(13) 0.4402(2) 0.3106(5) 0.0921(11) Uani 1 1 d . . . . .
H3 H 0.8212 0.4012 0.2888 0.110 Uiso 1 1 calc R U . . .
C4 C 0.76882(14) 0.43055(16) 0.3820(5) 0.0962(12) Uani 1 1 d . . . . .
H4 H 0.7607 0.3849 0.4088 0.115 Uiso 1 1 calc R U . . .
C5 C 0.74418(11) 0.48880(16) 0.4151(4) 0.0816(9) Uani 1 1 d . . . . .
H5 H 0.7195 0.4822 0.4634 0.098 Uiso 1 1 calc R U . . .
C6 C 0.75652(7) 0.55631(12) 0.3758(3) 0.0510(6) Uani 1 1 d . . . . .
C7 C 0.73221(8) 0.61781(13) 0.4065(3) 0.0531(6) Uani 1 1 d . . . . .
C8 C 0.71233(8) 0.67022(14) 0.4269(3) 0.0548(6) Uani 1 1 d . . . . .
C9 C 0.68769(7) 0.73429(12) 0.4414(3) 0.0456(6) Uani 1 1 d . . . . .
C10 C 0.67163(7) 0.74789(11) 0.6009(3) 0.0422(5) Uani 1 1 d . . . . .
C11 C 0.69562(8) 0.72679(13) 0.7431(3) 0.0558(7) Uani 1 1 d . . . . .
H11 H 0.7201 0.7007 0.7366 0.067 Uiso 1 1 calc R U . . .
C12 C 0.68385(9) 0.74378(15) 0.8936(3) 0.0636(7) Uani 1 1 d . . . . .
H12 H 0.7005 0.7298 0.9880 0.076 Uiso 1 1 calc R U . . .
C13 C 0.64746(9) 0.78143(14) 0.9041(3) 0.0610(7) Uani 1 1 d . . . . .
H13 H 0.6394 0.7930 1.0057 0.073 Uiso 1 1 calc R U . . .
C14 C 0.62288(8) 0.80207(13) 0.7636(3) 0.0532(6) Uani 1 1 d . . . . .
H14 H 0.5981 0.8273 0.7719 0.064 Uiso 1 1 calc R U . . .
C15 C 0.63422(7) 0.78614(11) 0.6103(3) 0.0420(5) Uani 1 1 d . . . . .
C16 C 0.60636(7) 0.80929(12) 0.4626(3) 0.0425(5) Uani 1 1 d . . . . .
C17 C 0.59984(7) 0.88221(12) 0.4347(3) 0.0491(6) Uani 1 1 d . . . . .
H17 H 0.6138 0.9144 0.5075 0.059 Uiso 1 1 calc R U . . .
C18 C 0.57378(7) 0.90792(13) 0.3043(3) 0.0515(6) Uani 1 1 d . U . . .
C19 C 0.55206(7) 0.86005(14) 0.1907(3) 0.0527(7) Uani 1 1 d . . . . .
C20 C 0.52348(9) 0.88134(18) 0.0554(3) 0.0671(8) Uani 1 1 d . . . . .
H20 H 0.5191 0.9296 0.0352 0.081 Uiso 1 1 calc R U . . .
C21 C 0.50246(9) 0.8335(2) -0.0445(3) 0.0767(10) Uani 1 1 d . . . . .
H21 H 0.4836 0.8493 -0.1313 0.092 Uiso 1 1 calc R U . . .
C22 C 0.50856(9) 0.7611(2) -0.0197(3) 0.0754(9) Uani 1 1 d . . . . .
H22 H 0.4941 0.7287 -0.0905 0.091 Uiso 1 1 calc R U . . .
C23 C 0.53598(8) 0.73701(17) 0.1091(3) 0.0627(7) Uani 1 1 d . . . . .
H23 H 0.5401 0.6884 0.1249 0.075 Uiso 1 1 calc R U . . .
C24 C 0.55787(7) 0.78560(13) 0.2172(3) 0.0484(6) Uani 1 1 d . . . . .
C25 C 0.58534(7) 0.76122(12) 0.3565(3) 0.0435(5) Uani 1 1 d . . . . .
C26 C 0.58970(7) 0.68637(13) 0.3860(3) 0.0502(6) Uani 1 1 d . . . . .
C27 C 0.59272(9) 0.62385(14) 0.4082(3) 0.0609(7) Uani 1 1 d . . . . .
C28 C 0.59648(11) 0.54856(15) 0.4304(4) 0.0768(9) Uani 1 1 d . . . . .
C29 C 0.63018(13) 0.52058(19) 0.5330(6) 0.1079(14) Uani 1 1 d . . . . .
H29 H 0.6496 0.5508 0.5900 0.129 Uiso 1 1 calc R U . . .
C30 C 0.63458(19) 0.4475(3) 0.5496(9) 0.160(3) Uani 1 1 d . . . . .
H30 H 0.6572 0.4282 0.6164 0.192 Uiso 1 1 calc R U . . .
C31 C 0.6049(3) 0.4040(3) 0.4657(12) 0.185(4) Uani 1 1 d . . . . .
H31 H 0.6082 0.3549 0.4750 0.223 Uiso 1 1 calc R U . . .
C32 C 0.5713(3) 0.4301(3) 0.3701(9) 0.169(3) Uani 1 1 d . . . . .
H32 H 0.5513 0.3996 0.3171 0.203 Uiso 1 1 calc R U . . .
C33 C 0.56712(17) 0.5037(2) 0.3524(6) 0.1225(16) Uani 1 1 d . . . . .
H33 H 0.5441 0.5224 0.2868 0.147 Uiso 1 1 calc R U . . .
C34 C 0.57061(10) 0.98673(16) 0.2981(4) 0.0728(9) Uani 1 1 d . U . . .
H34 H 0.5850 1.0110 0.3857 0.087 Uiso 1 1 calc R U . . .
O1 O 0.68178(6) 0.77418(10) 0.3259(2) 0.0640(5) Uani 1 1 d . . . . .
O2 O 0.55230(9) 1.02229(13) 0.1970(3) 0.1105(9) Uani 1 1 d . . . . .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 120.7(3) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C3 C2 C1 121.0(3) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.7(3) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C1 C6 C5 118.4(2) . . ?
C1 C6 C7 119.8(2) . . ?
C5 C6 C7 121.8(2) . . ?
C8 C7 C6 177.6(3) . . ?
C7 C8 C9 176.6(3) . . ?
O1 C9 C8 119.2(2) . . ?
O1 C9 C10 123.4(2) . . ?
C8 C9 C10 117.4(2) . . ?
C11 C10 C15 119.6(2) . . ?
C11 C10 C9 119.1(2) . . ?
C15 C10 C9 121.14(19) . . ?
C12 C11 C10 121.1(2) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C13 C12 C11 119.8(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 119.8(2) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 121.5(2) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
C14 C15 C10 118.2(2) . . ?
C14 C15 C16 119.3(2) . . ?
C10 C15 C16 122.6(2) . . ?
C25 C16 C17 118.9(2) . . ?
C25 C16 C15 122.0(2) . . ?
C17 C16 C15 119.0(2) . . ?
C18 C17 C16 122.7(2) . . ?
C18 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C17 C18 C19 120.1(2) . . ?
C17 C18 C34 114.3(3) . . ?
C19 C18 C34 125.6(2) . . ?
C20 C19 C18 124.2(3) . . ?
C20 C19 C24 117.4(3) . . ?
C18 C19 C24 118.3(2) . . ?
C21 C20 C19 121.7(3) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C22 120.9(3) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.3(3) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 119.6(2) . . ?
C23 C24 C25 120.9(2) . . ?
C19 C24 C25 119.5(2) . . ?
C16 C25 C26 120.4(2) . . ?
C16 C25 C24 120.5(2) . . ?
C26 C25 C24 119.2(2) . . ?
C27 C26 C25 178.8(3) . . ?
C26 C27 C28 178.5(3) . . ?
C33 C28 C29 119.6(4) . . ?
C33 C28 C27 120.5(4) . . ?
C29 C28 C27 119.9(3) . . ?
C30 C29 C28 119.8(5) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C31 C30 C29 118.9(6) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C32 C31 C30 122.2(5) . . ?
C32 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C31 C32 C33 118.8(6) . . ?
C31 C32 H32 120.6 . . ?
C33 C32 H32 120.6 . . ?
C28 C33 C32 120.6(6) . . ?
C28 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
O2 C34 C18 128.3(4) . . ?
O2 C34 H34 115.8 . . ?
C18 C34 H34 115.8 . . ?
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 1.368(4) . ?
C1 C6 1.375(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.337(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.361(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.393(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.431(3) . ?
C7 C8 1.194(3) . ?
C8 C9 1.451(3) . ?
C9 O1 1.210(3) . ?
C9 C10 1.487(3) . ?
C10 C11 1.384(3) . ?
C10 C15 1.404(3) . ?
C11 C12 1.374(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.386(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.489(3) . ?
C16 C25 1.378(3) . ?
C16 C17 1.402(3) . ?
C17 C18 1.371(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.422(4) . ?
C18 C34 1.485(4) . ?
C19 C20 1.417(4) . ?
C19 C24 1.425(4) . ?
C20 C21 1.346(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.388(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.406(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.439(3) . ?
C25 C26 1.432(3) . ?
C26 C27 1.192(3) . ?
C27 C28 1.430(4) . ?
C28 C33 1.367(5) . ?
C28 C29 1.394(5) . ?
C29 C30 1.387(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.377(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.350(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.396(7) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 O2 1.172(3) . ?
C34 H34 0.9300 . ?
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 -0.2(5) . . . . ?
C1 C2 C3 C4 0.3(6) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C2 C1 C6 C5 -0.1(5) . . . . ?
C2 C1 C6 C7 -179.4(3) . . . . ?
C4 C5 C6 C1 0.4(5) . . . . ?
C4 C5 C6 C7 179.7(3) . . . . ?
O1 C9 C10 C11 -145.1(2) . . . . ?
C8 C9 C10 C11 33.7(3) . . . . ?
O1 C9 C10 C15 30.2(4) . . . . ?
C8 C9 C10 C15 -151.0(2) . . . . ?
C15 C10 C11 C12 -1.2(4) . . . . ?
C9 C10 C11 C12 174.2(2) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C11 C12 C13 C14 0.0(4) . . . . ?
C12 C13 C14 C15 -0.5(4) . . . . ?
C13 C14 C15 C10 0.2(3) . . . . ?
C13 C14 C15 C16 179.6(2) . . . . ?
C11 C10 C15 C14 0.6(3) . . . . ?
C9 C10 C15 C14 -174.7(2) . . . . ?
C11 C10 C15 C16 -178.7(2) . . . . ?
C9 C10 C15 C16 6.0(3) . . . . ?
C14 C15 C16 C25 -114.2(2) . . . . ?
C10 C15 C16 C25 65.2(3) . . . . ?
C14 C15 C16 C17 63.0(3) . . . . ?
C10 C15 C16 C17 -117.7(2) . . . . ?
C25 C16 C17 C18 -1.0(3) . . . . ?
C15 C16 C17 C18 -178.2(2) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C16 C17 C18 C34 179.0(2) . . . . ?
C17 C18 C19 C20 177.9(2) . . . . ?
C34 C18 C19 C20 -1.1(4) . . . . ?
C17 C18 C19 C24 0.6(3) . . . . ?
C34 C18 C19 C24 -178.4(2) . . . . ?
C18 C19 C20 C21 -177.2(2) . . . . ?
C24 C19 C20 C21 0.1(3) . . . . ?
C19 C20 C21 C22 -0.9(4) . . . . ?
C20 C21 C22 C23 0.7(4) . . . . ?
C21 C22 C23 C24 0.3(4) . . . . ?
C22 C23 C24 C19 -1.1(3) . . . . ?
C22 C23 C24 C25 177.4(2) . . . . ?
C20 C19 C24 C23 0.9(3) . . . . ?
C18 C19 C24 C23 178.4(2) . . . . ?
C20 C19 C24 C25 -177.64(19) . . . . ?
C18 C19 C24 C25 -0.1(3) . . . . ?
C17 C16 C25 C26 -177.0(2) . . . . ?
C15 C16 C25 C26 0.2(3) . . . . ?
C17 C16 C25 C24 1.4(3) . . . . ?
C15 C16 C25 C24 178.5(2) . . . . ?
C23 C24 C25 C16 -179.4(2) . . . . ?
C19 C24 C25 C16 -0.8(3) . . . . ?
C23 C24 C25 C26 -1.0(3) . . . . ?
C19 C24 C25 C26 177.5(2) . . . . ?
C33 C28 C29 C30 2.6(6) . . . . ?
C27 C28 C29 C30 -177.7(3) . . . . ?
C28 C29 C30 C31 -1.0(7) . . . . ?
C29 C30 C31 C32 -1.3(9) . . . . ?
C30 C31 C32 C33 1.8(10) . . . . ?
C29 C28 C33 C32 -2.1(6) . . . . ?
C27 C28 C33 C32 178.2(4) . . . . ?
C31 C32 C33 C28 -0.1(9) . . . . ?
C17 C18 C34 O2 176.2(3) . . . . ?
C19 C18 C34 O2 -4.8(4) . . . . ?
