# Supplementary Information (SI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sdgp221024
_database_code_depnum_ccdc_archive 'CCDC 2367268'
loop_
_audit_author_name
_audit_author_address
'Samuel Dagorne'
;CNRS  university of strasbourg
France
;
_audit_update_record             
;
2024-07-02 deposited with the CCDC.	2024-09-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C29 H28 N2 O3), C H2 Cl2'
_chemical_formula_sum            'C59 H58 Cl2 N4 O6'
_chemical_formula_weight         989.99

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   8.0672(3)
_cell_length_b                   13.0590(7)
_cell_length_c                   24.6529(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.676(2)
_cell_angle_gamma                90
_cell_volume                     2597.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9544
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      29.94

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_F_000             1044
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.181
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7161
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Mo-ImuS 3.0 microfocus tube'
_diffrn_measurement_device_type  'Bruker PHOTON-III CPAD'
_diffrn_measurement_method       'φ and ω shuterless scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            104745
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.272
_diffrn_reflns_theta_max         30.036
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7609
_reflns_number_gt                5831
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX4'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0513P)²+1.9593P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7609
_refine_ls_number_parameters     331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1359
_refine_ls_wR_factor_gt          0.1210
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.74944(17) 0.55691(11) 0.28091(6) 0.0179(3) Uani 1 1 d . . . . .
C2 C 0.91412(18) 0.66602(12) 0.32515(6) 0.0228(3) Uani 1 1 d . . . . .
H2 H 0.9818 0.6957 0.3528 0.027 Uiso 1 1 calc R U . . .
C3 C 0.88043(18) 0.70675(11) 0.27589(6) 0.0212(3) Uani 1 1 d . . . . .
H3 H 0.9196 0.7703 0.2624 0.025 Uiso 1 1 calc R U . . .
C4 C 0.84220(18) 0.50998(11) 0.37602(6) 0.0211(3) Uani 1 1 d . . . . .
C5 C 0.72054(19) 0.52179(12) 0.41544(6) 0.0241(3) Uani 1 1 d . . . . .
C6 C 0.7398(2) 0.46584(13) 0.46312(6) 0.0285(3) Uani 1 1 d . . . . .
H6 H 0.6588 0.4723 0.4906 0.034 Uiso 1 1 calc R U . . .
C7 C 0.8741(2) 0.40070(13) 0.47175(7) 0.0285(3) Uani 1 1 d . . . . .
C8 C 0.9931(2) 0.39311(13) 0.43177(7) 0.0281(3) Uani 1 1 d . . . . .
H8 H 1.0855 0.3492 0.4376 0.034 Uiso 1 1 calc R U . . .
C9 C 0.98112(19) 0.44785(12) 0.38333(6) 0.0239(3) Uani 1 1 d . . . . .
C10 C 0.5736(2) 0.59092(15) 0.40661(7) 0.0324(4) Uani 1 1 d . . . . .
H10A H 0.4921 0.5566 0.3831 0.049 Uiso 1 1 calc R U . . .
H10B H 0.6099 0.6546 0.3893 0.049 Uiso 1 1 calc R U . . .
H10C H 0.5232 0.6067 0.4416 0.049 Uiso 1 1 calc R U . . .
C11 C 0.8918(3) 0.34128(15) 0.52410(7) 0.0379(4) Uani 1 1 d . . . . .
H11A H 0.8444 0.2727 0.5193 0.057 Uiso 1 1 calc R U . . .
H11B H 0.8330 0.3772 0.5530 0.057 Uiso 1 1 calc R U . . .
H11C H 1.0094 0.3354 0.5339 0.057 Uiso 1 1 calc R U . . .
C12 C 1.1162(2) 0.44199(14) 0.34177(7) 0.0292(3) Uani 1 1 d . . . . .
H12A H 1.0669 0.4294 0.3059 0.044 Uiso 1 1 calc R U . . .
H12B H 1.1922 0.3860 0.3511 0.044 Uiso 1 1 calc R U . . .
H12C H 1.1775 0.5068 0.3413 0.044 Uiso 1 1 calc R U . . .
C13 C 0.71485(17) 0.65598(10) 0.19466(6) 0.0179(3) Uani 1 1 d . . . . .
C14 C 0.82610(18) 0.64918(11) 0.15184(6) 0.0212(3) Uani 1 1 d . . . . .
C15 C 0.7621(2) 0.66505(12) 0.10007(6) 0.0248(3) Uani 1 1 d . . . . .
H15 H 0.8338 0.6588 0.0699 0.030 Uiso 1 1 calc R U . . .
C16 C 0.5963(2) 0.68990(13) 0.09082(6) 0.0277(3) Uani 1 1 d . . . . .
C17 C 0.49209(19) 0.69977(12) 0.13508(7) 0.0254(3) Uani 1 1 d . . . . .
H17 H 0.3795 0.7184 0.1291 0.030 Uiso 1 1 calc R U . . .
C18 C 0.54835(17) 0.68308(11) 0.18795(6) 0.0200(3) Uani 1 1 d . . . . .
C19 C 1.00829(19) 0.62895(14) 0.16086(7) 0.0287(3) Uani 1 1 d . . . . .
H19A H 1.0572 0.6046 0.1270 0.043 Uiso 1 1 calc R U . . .
H19B H 1.0226 0.5768 0.1891 0.043 Uiso 1 1 calc R U . . .
H19C H 1.0635 0.6923 0.1723 0.043 Uiso 1 1 calc R U . . .
C20 C 0.5325(3) 0.70686(19) 0.03388(8) 0.0455(5) Uani 1 1 d . . . . .
H20A H 0.5121 0.6406 0.0164 0.068 Uiso 1 1 calc R U . . .
H20B H 0.6150 0.7451 0.0132 0.068 Uiso 1 1 calc R U . . .
H20C H 0.4289 0.7460 0.0350 0.068 Uiso 1 1 calc R U . . .
C21 C 0.43446(19) 0.69517(12) 0.23542(7) 0.0243(3) Uani 1 1 d . . . . .
H21A H 0.3399 0.7381 0.2248 0.036 Uiso 1 1 calc R U . . .
H21B H 0.4948 0.7275 0.2656 0.036 Uiso 1 1 calc R U . . .
H21C H 0.3945 0.6277 0.2468 0.036 Uiso 1 1 calc R U . . .
C22 C 0.63621(19) 0.46678(11) 0.27162(6) 0.0214(3) Uani 1 1 d . . . . .
C23 C 0.56680(17) 0.44053(10) 0.21694(6) 0.0182(3) Uani 1 1 d . . . . .
C24 C 0.39377(18) 0.43928(11) 0.21169(7) 0.0233(3) Uani 1 1 d . . . . .
H24 H 0.3271 0.4554 0.2420 0.028 Uiso 1 1 calc R U . . .
C25 C 0.31944(18) 0.41460(12) 0.16250(7) 0.0276(3) Uani 1 1 d . . . . .
H25 H 0.2021 0.4149 0.1588 0.033 Uiso 1 1 calc R U . . .
C26 C 0.41731(19) 0.38951(13) 0.11864(7) 0.0282(3) Uani 1 1 d . . . . .
H26 H 0.3668 0.3745 0.0846 0.034 Uiso 1 1 calc R U . . .
C27 C 0.58864(18) 0.38618(12) 0.12413(6) 0.0232(3) Uani 1 1 d . . . . .
H27 H 0.6545 0.3673 0.0941 0.028 Uiso 1 1 calc R U . . .
C28 C 0.66440(16) 0.41036(11) 0.17352(6) 0.0179(3) Uani 1 1 d . . . . .
C29 C 0.84841(17) 0.39341(11) 0.18204(6) 0.0202(3) Uani 1 1 d . . . . .
C30 C 0.0060(6) 0.4534(3) 0.02868(16) 0.0442(9) Uani 0.5 1 d . . P . .
H30A H -0.0285 0.4602 0.0656 0.050 Uiso 0.5 1 d . . P . .
H30B H 0.0590 0.3899 0.0278 0.050 Uiso 0.5 1 d . . P . .
N1 N 0.83216(15) 0.57331(9) 0.32806(5) 0.0196(2) Uani 1 1 d . . . . .
N2 N 0.77821(14) 0.63837(9) 0.24891(5) 0.0181(2) Uani 1 1 d . . . . .
O1 O 0.58549(17) 0.42437(10) 0.31202(5) 0.0347(3) Uani 1 1 d . . . . .
O2 O 0.93120(13) 0.36534(9) 0.14243(5) 0.0278(2) Uani 1 1 d . . . . .
O3 O 0.90086(13) 0.40698(9) 0.23020(5) 0.0266(2) Uani 1 1 d . . . . .
Cl1 Cl 0.16195(8) 0.54112(6) 0.01548(3) 0.06121(18) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N2 1.3462(18) . ?
C1 N1 1.3504(18) . ?
C1 C22 1.506(2) . ?
C2 C3 1.350(2) . ?
C2 N1 1.3818(19) . ?
C2 H2 0.9500 . ?
C3 N2 1.3810(18) . ?
C3 H3 0.9500 . ?
C4 C9 1.394(2) . ?
C4 C5 1.398(2) . ?
C4 N1 1.4444(18) . ?
C5 C6 1.391(2) . ?
C5 C10 1.503(2) . ?
C6 C7 1.392(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(2) . ?
C7 C11 1.511(2) . ?
C8 C9 1.394(2) . ?
C8 H8 0.9500 . ?
C9 C12 1.507(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.396(2) . ?
C13 C18 1.3970(19) . ?
C13 N2 1.4446(18) . ?
C14 C15 1.387(2) . ?
C14 C19 1.507(2) . ?
C15 C16 1.393(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(2) . ?
C16 C20 1.506(2) . ?
C17 C18 1.392(2) . ?
C17 H17 0.9500 . ?
C18 C21 1.505(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O1 1.2150(19) . ?
C22 C23 1.493(2) . ?
C23 C28 1.3932(19) . ?
C23 C24 1.400(2) . ?
C24 C25 1.384(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.392(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.5131(19) . ?
C29 O2 1.2447(18) . ?
C29 O3 1.2681(18) . ?
C30 Cl1 1.730(5) 3_565 ?
C30 Cl1 1.735(4) . ?
C30 H30A 0.9590 . ?
C30 H30B 0.9331 . ?
Cl1 C30 1.730(5) 3_565 ?

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
N2 C1 N1 107.00(12) . . ?
N2 C1 C22 129.56(13) . . ?
N1 C1 C22 123.21(13) . . ?
C3 C2 N1 107.48(13) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C2 C3 N2 106.93(13) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
C9 C4 C5 122.99(14) . . ?
C9 C4 N1 118.46(13) . . ?
C5 C4 N1 118.22(13) . . ?
C6 C5 C4 117.21(15) . . ?
C6 C5 C10 121.16(15) . . ?
C4 C5 C10 121.62(14) . . ?
C5 C6 C7 121.93(15) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 H6 119.0 . . ?
C8 C7 C6 118.61(15) . . ?
C8 C7 C11 120.72(16) . . ?
C6 C7 C11 120.65(16) . . ?
C7 C8 C9 122.04(15) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C4 C9 C8 117.18(15) . . ?
C4 C9 C12 121.91(14) . . ?
C8 C9 C12 120.88(14) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 123.53(13) . . ?
C14 C13 N2 117.78(12) . . ?
C18 C13 N2 118.62(12) . . ?
C15 C14 C13 116.79(14) . . ?
C15 C14 C19 120.90(14) . . ?
C13 C14 C19 122.28(14) . . ?
C14 C15 C16 122.13(15) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C17 C16 C15 118.76(14) . . ?
C17 C16 C20 120.98(16) . . ?
C15 C16 C20 120.26(16) . . ?
C16 C17 C18 121.77(14) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C13 116.92(13) . . ?
C17 C18 C21 121.09(13) . . ?
C13 C18 C21 121.99(13) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O1 C22 C23 120.61(13) . . ?
O1 C22 C1 116.17(13) . . ?
C23 C22 C1 122.49(12) . . ?
C28 C23 C24 119.83(13) . . ?
C28 C23 C22 123.31(13) . . ?
C24 C23 C22 116.66(13) . . ?
C25 C24 C23 120.30(14) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 119.58(14) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 120.48(15) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 120.31(14) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 119.33(13) . . ?
C27 C28 C29 120.54(13) . . ?
C23 C28 C29 119.81(13) . . ?
O2 C29 O3 126.83(13) . . ?
O2 C29 C28 117.95(13) . . ?
O3 C29 C28 115.18(13) . . ?
Cl1 C30 Cl1 114.8(2) 3_565 . ?
Cl1 C30 H30A 111.1 3_565 . ?
Cl1 C30 H30A 109.6 . . ?
Cl1 C30 H30B 112.2 3_565 . ?
Cl1 C30 H30B 104.4 . . ?
H30A C30 H30B 104.0 . . ?
C1 N1 C2 109.04(12) . . ?
C1 N1 C4 129.50(12) . . ?
C2 N1 C4 121.46(12) . . ?
C1 N2 C3 109.55(12) . . ?
C1 N2 C13 127.37(12) . . ?
C3 N2 C13 123.07(12) . . ?
C30 Cl1 C30 65.2(2) 3_565 . ?

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
N1 C2 C3 N2 -0.14(16) . . . . ?
C9 C4 C5 C6 -1.9(2) . . . . ?
N1 C4 C5 C6 -175.13(14) . . . . ?
C9 C4 C5 C10 178.90(15) . . . . ?
N1 C4 C5 C10 5.6(2) . . . . ?
C4 C5 C6 C7 0.1(2) . . . . ?
C10 C5 C6 C7 179.35(16) . . . . ?
C5 C6 C7 C8 1.1(3) . . . . ?
C5 C6 C7 C11 179.75(16) . . . . ?
C6 C7 C8 C9 -0.6(3) . . . . ?
C11 C7 C8 C9 -179.26(16) . . . . ?
C5 C4 C9 C8 2.3(2) . . . . ?
N1 C4 C9 C8 175.57(14) . . . . ?
C5 C4 C9 C12 -175.77(15) . . . . ?
N1 C4 C9 C12 -2.5(2) . . . . ?
C7 C8 C9 C4 -1.1(2) . . . . ?
C7 C8 C9 C12 177.05(15) . . . . ?
C18 C13 C14 C15 -3.7(2) . . . . ?
N2 C13 C14 C15 179.18(13) . . . . ?
C18 C13 C14 C19 174.43(14) . . . . ?
N2 C13 C14 C19 -2.7(2) . . . . ?
C13 C14 C15 C16 2.0(2) . . . . ?
C19 C14 C15 C16 -176.10(15) . . . . ?
C14 C15 C16 C17 0.5(2) . . . . ?
C14 C15 C16 C20 179.75(17) . . . . ?
C15 C16 C17 C18 -1.6(2) . . . . ?
C20 C16 C17 C18 179.15(17) . . . . ?
C16 C17 C18 C13 0.1(2) . . . . ?
C16 C17 C18 C21 179.35(14) . . . . ?
C14 C13 C18 C17 2.6(2) . . . . ?
N2 C13 C18 C17 179.78(13) . . . . ?
C14 C13 C18 C21 -176.62(14) . . . . ?
N2 C13 C18 C21 0.5(2) . . . . ?
N2 C1 C22 O1 -154.01(16) . . . . ?
N1 C1 C22 O1 19.7(2) . . . . ?
N2 C1 C22 C23 16.2(2) . . . . ?
N1 C1 C22 C23 -170.11(13) . . . . ?
O1 C22 C23 C28 -125.76(17) . . . . ?
C1 C22 C23 C28 64.43(19) . . . . ?
O1 C22 C23 C24 49.2(2) . . . . ?
C1 C22 C23 C24 -120.65(15) . . . . ?
C28 C23 C24 C25 -4.2(2) . . . . ?
C22 C23 C24 C25 -179.30(14) . . . . ?
C23 C24 C25 C26 1.0(2) . . . . ?
C24 C25 C26 C27 1.8(3) . . . . ?
C25 C26 C27 C28 -1.5(3) . . . . ?
C26 C27 C28 C23 -1.7(2) . . . . ?
C26 C27 C28 C29 171.82(14) . . . . ?
C24 C23 C28 C27 4.5(2) . . . . ?
C22 C23 C28 C27 179.25(14) . . . . ?
C24 C23 C28 C29 -169.06(13) . . . . ?
C22 C23 C28 C29 5.7(2) . . . . ?
C27 C28 C29 O2 5.7(2) . . . . ?
C23 C28 C29 O2 179.18(14) . . . . ?
C27 C28 C29 O3 -172.34(14) . . . . ?
C23 C28 C29 O3 1.1(2) . . . . ?
N2 C1 N1 C2 -0.31(16) . . . . ?
C22 C1 N1 C2 -175.20(13) . . . . ?
N2 C1 N1 C4 179.76(13) . . . . ?
C22 C1 N1 C4 4.9(2) . . . . ?
C3 C2 N1 C1 0.28(17) . . . . ?
C3 C2 N1 C4 -179.78(13) . . . . ?
C9 C4 N1 C1 98.85(18) . . . . ?
C5 C4 N1 C1 -87.57(19) . . . . ?
C9 C4 N1 C2 -81.07(18) . . . . ?
C5 C4 N1 C2 92.51(17) . . . . ?
N1 C1 N2 C3 0.22(16) . . . . ?
C22 C1 N2 C3 174.68(14) . . . . ?
N1 C1 N2 C13 -179.47(12) . . . . ?
C22 C1 N2 C13 -5.0(2) . . . . ?
C2 C3 N2 C1 -0.05(16) . . . . ?
C2 C3 N2 C13 179.66(13) . . . . ?
C14 C13 N2 C1 -108.80(16) . . . . ?
C18 C13 N2 C1 73.90(19) . . . . ?
C14 C13 N2 C3 71.55(18) . . . . ?
C18 C13 N2 C3 -105.75(16) . . . . ?
Cl1 C30 Cl1 C30 0.000(0) 3_565 . . 3_565 ?

_refine_diff_density_max         0.431
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.056



