#------------------------------------------------------------------------------
#$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/64/7056453.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_7056453
loop_
_publ_author_name
'Madhu, Suresh'
'Rashmi, E.'
'Gonnade, Rajesh G.'
'Sanjayan, G. J.'
_publ_section_title
;
 Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles
 and Cages
;
_journal_issue                   17
_journal_name_full               'New J. Chem.'
_journal_page_first              8721
_journal_page_last               8724
_journal_paper_doi               10.1039/C7NJ02069D
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C64 H60 N4'
_chemical_formula_sum            'C64 H60 N4'
_chemical_formula_weight         885.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-26 deposited with the CCDC.
2017-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.025(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.1510(4)
_cell_length_b                   17.5803(5)
_cell_length_c                   8.6794(2)
_cell_measurement_reflns_used    3441
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.54
_cell_volume                     2450.81(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0360
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14923
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         2.536
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2006)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.370
_exptl_crystal_size_min          0.240
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         4607
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0418P)²+0.8024P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1291
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3117
_reflns_number_total             4607
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj02069d2.cif
_cod_data_source_block           5
_cod_database_code               7056453
#BEGIN Tags that were not found in dictionaries:
_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   0.984
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
N1 N 0.36630(10) 0.64431(11) 0.3052(2) 0.0342(5) Uani 1 1 d . .
N2 N 0.37859(12) 0.37116(11) 0.3119(2) 0.0447(5) Uani 1 1 d . .
C1 C 0.33169(13) 0.37275(13) 0.4418(2) 0.0361(6) Uani 1 1 d . .
C2 C 0.36442(14) 0.35420(14) 0.5904(3) 0.0423(6) Uani 1 1 d . .
H2 H 0.4221 0.3431 0.6112 0.051 Uiso 1 1 calc R U
C3 C 0.31337(13) 0.35168(13) 0.7099(2) 0.0369(6) Uani 1 1 d . .
H3 H 0.3368 0.3383 0.8113 0.044 Uiso 1 1 calc R U
C4 C 0.22947(12) 0.36826(12) 0.6844(2) 0.0282(5) Uani 1 1 d . .
C5 C 0.19792(13) 0.38786(13) 0.5341(2) 0.0361(6) Uani 1 1 d . .
H5 H 0.1407 0.4008 0.5135 0.043 Uiso 1 1 calc R U
C6 C 0.24759(13) 0.38891(14) 0.4151(2) 0.0406(6) Uani 1 1 d . .
H6 H 0.2239 0.4009 0.3132 0.049 Uiso 1 1 calc R U
C7 C 0.16923(13) 0.36132(12) 0.8094(2) 0.0304(5) Uani 1 1 d . .
C8 C 0.21492(14) 0.35753(14) 0.9737(2) 0.0415(6) Uani 1 1 d . .
H8A H 0.2512 0.4020 0.9916 0.062 Uiso 1 1 calc R U
H8B H 0.2486 0.3111 0.9847 0.062 Uiso 1 1 calc R U
H8C H 0.1741 0.3571 1.0497 0.062 Uiso 1 1 calc R U
C9 C 0.12204(14) 0.28622(13) 0.7795(3) 0.0458(6) Uani 1 1 d . .
H9B H 0.0851 0.2781 0.8607 0.069 Uiso 1 1 calc R U
H9C H 0.1619 0.2442 0.7804 0.069 Uiso 1 1 calc R U
H9A H 0.0889 0.2884 0.6784 0.069 Uiso 1 1 calc R U
C10 C 0.11144(12) 0.43034(13) 0.8003(2) 0.0276(5) Uani 1 1 d . .
C11 C 0.02521(13) 0.42510(15) 0.7976(3) 0.0418(6) Uani 1 1 d . .
H11 H -0.0005 0.3766 0.8013 0.050 Uiso 1 1 calc R U
C12 C -0.02268(14) 0.48990(15) 0.7896(3) 0.0479(7) Uani 1 1 d . .
H12 H -0.0813 0.4854 0.7889 0.057 Uiso 1 1 calc R U
C13 C 0.01224(13) 0.56126(15) 0.7826(2) 0.0394(6) Uani 1 1 d . .
H13 H -0.0222 0.6052 0.7760 0.047 Uiso 1 1 calc R U
C14 C 0.09818(12) 0.56871(13) 0.7852(2) 0.0265(5) Uani 1 1 d . .
C15 C 0.14542(12) 0.50258(12) 0.7948(2) 0.0260(5) Uani 1 1 d . .
H15 H 0.2042 0.5071 0.7978 0.031 Uiso 1 1 calc R U
C16 C 0.14270(12) 0.64535(12) 0.7823(2) 0.0290(5) Uani 1 1 d . .
C17 C 0.18696(13) 0.65919(13) 0.9454(2) 0.0367(6) Uani 1 1 d . .
H17B H 0.1465 0.6556 1.0217 0.055 Uiso 1 1 calc R U
H17A H 0.2121 0.7100 0.9501 0.055 Uiso 1 1 calc R U
H17C H 0.2305 0.6208 0.9684 0.055 Uiso 1 1 calc R U
C18 C 0.08280(13) 0.71176(13) 0.7439(3) 0.0446(6) Uani 1 1 d . .
H18A H 0.0508 0.7028 0.6433 0.067 Uiso 1 1 calc R U
H18B H 0.1146 0.7591 0.7398 0.067 Uiso 1 1 calc R U
H18C H 0.0446 0.7160 0.8241 0.067 Uiso 1 1 calc R U
C19 C 0.20403(12) 0.64352(12) 0.6579(2) 0.0257(5) Uani 1 1 d . .
C20 C 0.28419(12) 0.67307(12) 0.6818(2) 0.0296(5) Uani 1 1 d . .
H20 H 0.3039 0.6935 0.7803 0.036 Uiso 1 1 calc R U
C21 C 0.33580(12) 0.67318(12) 0.5638(2) 0.0318(5) Uani 1 1 d . .
H21 H 0.3897 0.6952 0.5816 0.038 Uiso 1 1 calc R U
C22 C 0.31022(12) 0.64174(12) 0.4207(2) 0.0293(5) Uani 1 1 d . .
C23 C 0.22944(12) 0.61360(13) 0.3954(2) 0.0330(5) Uani 1 1 d . .
H23 H 0.2097 0.5935 0.2968 0.040 Uiso 1 1 calc R U
C24 C 0.17791(12) 0.61470(12) 0.5120(2) 0.0319(5) Uani 1 1 d . .
H24 H 0.1230 0.5952 0.4921 0.038 Uiso 1 1 calc R U
C25 C 0.36150(12) 0.59294(13) 0.2009(2) 0.0328(5) Uani 1 1 d . .
H25 H 0.3241 0.5518 0.2091 0.039 Uiso 1 1 calc R U
C26 C 0.41104(12) 0.59448(13) 0.0688(2) 0.0308(5) Uani 1 1 d . .
C27 C 0.47203(12) 0.64952(13) 0.0570(2) 0.0332(5) Uani 1 1 d . .
H26 H 0.4823 0.6870 0.1356 0.040 Uiso 1 1 calc R U
C28 C 0.51764(13) 0.64970(13) -0.0690(2) 0.0348(6) Uani 1 1 d . .
H27 H 0.5597 0.6869 -0.0757 0.042 Uiso 1 1 calc R U
C29 C 0.50256(12) 0.59582(13) -0.1862(2) 0.0321(5) Uani 1 1 d . .
C30 C 0.44050(13) 0.54256(13) -0.1759(2) 0.0359(6) Uani 1 1 d . .
H30 H 0.4281 0.5069 -0.2573 0.043 Uiso 1 1 calc R U
C31 C 0.39655(13) 0.54096(13) -0.0482(2) 0.0351(6) Uani 1 1 d . .
H31 H 0.3557 0.5026 -0.0402 0.042 Uiso 1 1 calc R U
C33 C 0.55313(13) 0.59424(13) -0.3175(2) 0.0363(6) Uani 1 1 d . .
H32 H 0.5338 0.5665 -0.4082 0.044 Uiso 1 1 calc R U
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
_geom_angle_site_symmetry_1
C25 N1 C22 118.87(18) .
C33 N2 C1 119.86(19) 3_665
C2 C1 C6 118.53(19) .
C2 C1 N2 123.5(2) .
C6 C1 N2 117.8(2) .
C1 C2 C3 120.3(2) .
C1 C2 H2 119.8 .
C3 C2 H2 119.8 .
C4 C3 C2 121.5(2) .
C4 C3 H3 119.3 .
C2 C3 H3 119.3 .
C3 C4 C5 117.30(18) .
C3 C4 C7 123.62(18) .
C5 C4 C7 118.97(18) .
C6 C5 C4 121.5(2) .
C6 C5 H5 119.2 .
C4 C5 H5 119.2 .
C5 C6 C1 120.8(2) .
C5 C6 H6 119.6 .
C1 C6 H6 119.6 .
C10 C7 C9 112.65(17) .
C10 C7 C4 109.21(16) .
C9 C7 C4 106.83(16) .
C10 C7 C8 108.28(17) .
C9 C7 C8 107.55(18) .
C4 C7 C8 112.38(17) .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C7 C9 H9A 109.5 .
H9B C9 H9A 109.5 .
H9C C9 H9A 109.5 .
C15 C10 C11 117.3(2) .
C15 C10 C7 119.17(17) .
C11 C10 C7 123.5(2) .
C12 C11 C10 120.1(2) .
C12 C11 H11 119.9 .
C10 C11 H11 119.9 .
C11 C12 C13 121.7(2) .
C11 C12 H12 119.2 .
C13 C12 H12 119.2 .
C12 C13 C14 119.8(2) .
C12 C13 H13 120.1 .
C14 C13 H13 120.1 .
C15 C14 C13 117.6(2) .
C15 C14 C16 118.86(17) .
C13 C14 C16 123.5(2) .
C10 C15 C14 123.52(18) .
C10 C15 H15 118.2 .
C14 C15 H15 118.2 .
C14 C16 C18 112.84(17) .
C14 C16 C17 107.38(16) .
C18 C16 C17 107.57(17) .
C14 C16 C19 109.34(16) .
C18 C16 C19 107.56(16) .
C17 C16 C19 112.21(16) .
C16 C17 H17B 109.5 .
C16 C17 H17A 109.5 .
H17B C17 H17A 109.5 .
C16 C17 H17C 109.5 .
H17B C17 H17C 109.5 .
H17A C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C24 C19 C20 117.51(18) .
C24 C19 C16 119.41(17) .
C20 C19 C16 123.01(18) .
C21 C20 C19 120.84(19) .
C21 C20 H20 119.6 .
C19 C20 H20 119.6 .
C22 C21 C20 121.12(19) .
C22 C21 H21 119.4 .
C20 C21 H21 119.4 .
C21 C22 C23 118.12(18) .
C21 C22 N1 117.94(18) .
C23 C22 N1 123.82(19) .
C24 C23 C22 120.55(19) .
C24 C23 H23 119.7 .
C22 C23 H23 119.7 .
C23 C24 C19 121.78(19) .
C23 C24 H24 119.1 .
C19 C24 H24 119.1 .
N1 C25 C26 123.0(2) .
N1 C25 H25 118.5 .
C26 C25 H25 118.5 .
C31 C26 C27 118.94(19) .
C31 C26 C25 119.77(19) .
C27 C26 C25 121.3(2) .
C28 C27 C26 120.0(2) .
C28 C27 H26 120.0 .
C26 C27 H26 120.0 .
C27 C28 C29 120.7(2) .
C27 C28 H27 119.7 .
C29 C28 H27 119.7 .
C30 C29 C28 119.09(19) .
C30 C29 C33 120.2(2) .
C28 C29 C33 120.7(2) .
C31 C30 C29 120.3(2) .
C31 C30 H30 119.9 .
C29 C30 H30 119.9 .
C30 C31 C26 120.9(2) .
C30 C31 H31 119.5 .
C26 C31 H31 119.5 .
N2 C33 C29 121.2(2) 3_665
N2 C33 H32 119.4 3_665
C29 C33 H32 119.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C25 1.276(3) .
N1 C22 1.421(2) .
N2 C33 1.256(3) 3_665
N2 C1 1.423(2) .
C1 C2 1.381(3) .
C1 C6 1.383(3) .
C2 C3 1.392(3) .
C2 H2 0.9500 .
C3 C4 1.381(3) .
C3 H3 0.9500 .
C4 C5 1.393(3) .
C4 C7 1.536(3) .
C5 C6 1.373(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C10 1.528(3) .
C7 C9 1.533(3) .
C7 C8 1.537(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C9 H9A 0.9800 .
C10 C15 1.386(3) .
C10 C11 1.394(3) .
C11 C12 1.375(3) .
C11 H11 0.9500 .
C12 C13 1.379(3) .
C12 H12 0.9500 .
C13 C14 1.392(3) .
C13 H13 0.9500 .
C14 C15 1.388(3) .
C14 C16 1.529(3) .
C15 H15 0.9500 .
C16 C18 1.531(3) .
C16 C17 1.537(3) .
C16 C19 1.540(3) .
C17 H17B 0.9800 .
C17 H17A 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.388(3) .
C19 C20 1.390(3) .
C20 C21 1.387(3) .
C20 H20 0.9500 .
C21 C22 1.382(3) .
C21 H21 0.9500 .
C22 C23 1.391(3) .
C23 C24 1.376(3) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.465(3) .
C25 H25 0.9500 .
C26 C31 1.386(3) .
C26 C27 1.392(3) .
C27 C28 1.381(3) .
C27 H26 0.9500 .
C28 C29 1.393(3) .
C28 H27 0.9500 .
C29 C30 1.381(3) .
C29 C33 1.470(3) .
C30 C31 1.378(3) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C33 N2 1.256(3) 3_665
C33 H32 0.9500 .
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_4
C33 N2 C1 C2 -52.0(3) 3_665 .
C33 N2 C1 C6 132.4(2) 3_665 .
C6 C1 C2 C3 0.2(4) . .
N2 C1 C2 C3 -175.3(2) . .
C1 C2 C3 C4 -0.7(4) . .
C2 C3 C4 C5 -0.2(3) . .
C2 C3 C4 C7 175.8(2) . .
C3 C4 C5 C6 1.6(3) . .
C7 C4 C5 C6 -174.7(2) . .
C4 C5 C6 C1 -2.1(4) . .
C2 C1 C6 C5 1.1(4) . .
N2 C1 C6 C5 176.9(2) . .
C3 C4 C7 C10 137.3(2) . .
C5 C4 C7 C10 -46.8(2) . .
C3 C4 C7 C9 -100.6(2) . .
C5 C4 C7 C9 75.3(2) . .
C3 C4 C7 C8 17.1(3) . .
C5 C4 C7 C8 -167.0(2) . .
C9 C7 C10 C15 -167.62(17) . .
C4 C7 C10 C15 -49.1(2) . .
C8 C7 C10 C15 73.6(2) . .
C9 C7 C10 C11 12.6(3) . .
C4 C7 C10 C11 131.1(2) . .
C8 C7 C10 C11 -106.2(2) . .
C15 C10 C11 C12 0.1(3) . .
C7 C10 C11 C12 179.9(2) . .
C10 C11 C12 C13 0.6(4) . .
C11 C12 C13 C14 -0.7(3) . .
C12 C13 C14 C15 0.0(3) . .
C12 C13 C14 C16 -178.30(19) . .
C11 C10 C15 C14 -0.7(3) . .
C7 C10 C15 C14 179.47(17) . .
C13 C14 C15 C10 0.7(3) . .
C16 C14 C15 C10 179.08(17) . .
C15 C14 C16 C18 170.23(17) . .
C13 C14 C16 C18 -11.5(3) . .
C15 C14 C16 C17 -71.4(2) . .
C13 C14 C16 C17 106.9(2) . .
C15 C14 C16 C19 50.6(2) . .
C13 C14 C16 C19 -131.13(19) . .
C14 C16 C19 C24 46.3(2) . .
C18 C16 C19 C24 -76.6(2) . .
C17 C16 C19 C24 165.32(19) . .
C14 C16 C19 C20 -137.0(2) . .
C18 C16 C19 C20 100.1(2) . .
C17 C16 C19 C20 -18.0(3) . .
C24 C19 C20 C21 -0.3(3) . .
C16 C19 C20 C21 -177.04(18) . .
C19 C20 C21 C22 -2.2(3) . .
C20 C21 C22 C23 3.4(3) . .
C20 C21 C22 N1 179.67(18) . .
C25 N1 C22 C21 152.3(2) . .
C25 N1 C22 C23 -31.7(3) . .
C21 C22 C23 C24 -2.4(3) . .
N1 C22 C23 C24 -178.3(2) . .
C22 C23 C24 C19 0.0(3) . .
C20 C19 C24 C23 1.4(3) . .
C16 C19 C24 C23 178.25(19) . .
C22 N1 C25 C26 174.13(18) . .
N1 C25 C26 C31 -173.5(2) . .
N1 C25 C26 C27 5.6(3) . .
C31 C26 C27 C28 -0.8(3) . .
C25 C26 C27 C28 -179.85(19) . .
C26 C27 C28 C29 0.9(3) . .
C27 C28 C29 C30 0.8(3) . .
C27 C28 C29 C33 -177.75(19) . .
C28 C29 C30 C31 -2.6(3) . .
C33 C29 C30 C31 175.91(19) . .
C29 C30 C31 C26 2.8(3) . .
C27 C26 C31 C30 -1.1(3) . .
C25 C26 C31 C30 178.00(19) . .
C30 C29 C33 N2 -162.6(2) . 3_665
C28 C29 C33 N2 15.9(3) . 3_665
loop_
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1 PubChem 139178010
