# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_CY-1
_database_code_depnum_ccdc_archive 'CCDC 2393670'
loop_
_audit_author_name
_audit_author_address
'Yulun Wu'
;NanJing University
China
;
_audit_update_record             
;
2024-10-25 deposited with the CCDC.	2025-11-12 downloaded from the CCDC.
;
_audit_creation_date             2024-10-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        DCM
_chemical_formula_moiety         '4(C H2 Cl2), 4(C37 H39 N2), 4(Cl)'
_chemical_formula_sum            'C152 H164 Cl12 N8'
_chemical_formula_weight         2528.30
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   11.3572(10)
_cell_length_b                   13.1763(10)
_cell_length_c                   22.3783(15)
_cell_angle_alpha                90
_cell_angle_beta                 103.751(3)
_cell_angle_gamma                90
_cell_volume                     3252.8(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5925
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.952
_exptl_absorpt_coefficient_mu    0.312
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1722 before and 0.0896 after correction.
The Ratio of minimum to maximum transmission is 0.8085.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0817
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30457
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         1.807
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4670
_reflns_number_total             7454
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         7454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1111
_refine_ls_R_factor_gt           0.0565
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.079
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0414P)²+1.9173P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1346
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Cl2 Cl 0.06141(9) 0.51755(7) 0.11436(5) 0.0699(3) Uani 1 1 d . . . . .
Cl1 Cl -0.04236(9) 0.55251(7) 0.21969(4) 0.0697(3) Uani 1 1 d . . . . .
N1 N 0.38972(18) 0.65963(14) 0.40328(8) 0.0236(4) Uani 1 1 d . . . . .
N2 N 0.53878(19) 0.54321(14) 0.16973(8) 0.0240(4) Uani 1 1 d . . . . .
C16 C 0.3717(2) 0.67348(18) 0.46327(10) 0.0247(5) Uani 1 1 d . . . . .
C5 C 0.4691(2) 0.47170(18) 0.18724(10) 0.0235(5) Uani 1 1 d . . . . .
C15 C 0.3041(2) 0.59509(18) 0.47752(10) 0.0239(5) Uani 1 1 d . . . . .
C12 C 0.2780(2) 0.52051(17) 0.42468(10) 0.0231(5) Uani 1 1 d . . . . .
C29 C 0.5843(2) 0.50811(18) 0.11958(10) 0.0228(5) Uani 1 1 d . . . . .
C33 C 0.5666(2) 0.36503(18) 0.05053(10) 0.0255(5) Uani 1 1 d . . . . .
C1 C 0.3415(2) 0.57058(17) 0.37937(10) 0.0226(5) Uani 1 1 d . . . . .
C6 C 0.5533(2) 0.64731(18) 0.19295(11) 0.0257(5) Uani 1 1 d . . . . .
H6A H 0.476(2) 0.6689(16) 0.1973(10) 0.015(6) Uiso 1 1 d . . . . .
H6B H 0.575(2) 0.6863(18) 0.1616(11) 0.027(7) Uiso 1 1 d . . . . .
C28 C 0.5385(2) 0.41325(18) 0.10214(10) 0.0242(5) Uani 1 1 d . . . . .
C3 C 0.4055(2) 0.54344(19) 0.27981(10) 0.0251(5) Uani 1 1 d . . . . .
H3 H 0.445(2) 0.6063(19) 0.2798(10) 0.027(7) Uiso 1 1 d . . . . .
C11 C 0.4601(2) 0.73039(19) 0.37472(11) 0.0265(5) Uani 1 1 d . . . . .
C2 C 0.3457(2) 0.52088(19) 0.32533(10) 0.0259(5) Uani 1 1 d . . . . .
H2 H 0.306(2) 0.4566(18) 0.3209(10) 0.022(6) Uiso 1 1 d . . . . .
C20 C 0.2761(2) 0.59030(18) 0.53601(10) 0.0271(5) Uani 1 1 d . . . . .
C25 C 0.4636(2) 0.37863(18) 0.14561(10) 0.0241(5) Uani 1 1 d . . . . .
C4 C 0.4087(2) 0.47249(19) 0.23425(10) 0.0265(5) Uani 1 1 d . . . . .
H4 H 0.363(2) 0.4123(18) 0.2370(10) 0.023(6) Uiso 1 1 d . . . . .
C32 C 0.6471(2) 0.41680(19) 0.02062(10) 0.0286(6) Uani 1 1 d . . . . .
C13 C 0.3393(3) 0.4178(2) 0.44414(12) 0.0303(6) Uani 1 1 d . . . . .
C30 C 0.6637(2) 0.5600(2) 0.09115(11) 0.0286(6) Uani 1 1 d . . . . .
H30 H 0.694(2) 0.627(2) 0.1064(11) 0.030(7) Uiso 1 1 d . . . . .
C26 C 0.5210(3) 0.2876(2) 0.18479(13) 0.0326(6) Uani 1 1 d . . . . .
H26A H 0.606(3) 0.306(2) 0.2064(12) 0.040(8) Uiso 1 1 d . . . . .
H26B H 0.528(3) 0.230(2) 0.1591(12) 0.043(8) Uiso 1 1 d . . . . .
H26C H 0.473(2) 0.2685(19) 0.2144(12) 0.036(7) Uiso 1 1 d . . . . .
C7 C 0.6459(2) 0.6603(2) 0.25400(11) 0.0281(6) Uani 1 1 d . . . . .
C21 C 0.2062(2) 0.5125(2) 0.55468(11) 0.0314(6) Uani 1 1 d . . . . .
C14 C 0.1428(2) 0.5084(2) 0.39437(12) 0.0312(6) Uani 1 1 d . . . . .
H14A H 0.099(3) 0.484(2) 0.4247(13) 0.045(8) Uiso 1 1 d . . . . .
H14B H 0.132(2) 0.4583(19) 0.3603(11) 0.029(7) Uiso 1 1 d . . . . .
H14C H 0.110(3) 0.571(2) 0.3799(13) 0.050(9) Uiso 1 1 d . . . . .
C19 C 0.3243(3) 0.66861(19) 0.57885(11) 0.0321(6) Uani 1 1 d . . . . .
C10 C 0.5919(2) 0.6993(2) 0.38695(11) 0.0288(6) Uani 1 1 d . . . . .
C34 C 0.5184(3) 0.2701(2) 0.02612(11) 0.0322(6) Uani 1 1 d . . . . .
H34 H 0.467(2) 0.2359(19) 0.0450(11) 0.031(7) Uiso 1 1 d . . . . .
C17 C 0.4174(3) 0.75233(19) 0.50453(12) 0.0312(6) Uani 1 1 d . . . . .
H17 H 0.465(3) 0.804(2) 0.4922(12) 0.041(8) Uiso 1 1 d . . . . .
C8 C 0.6266(3) 0.7624(2) 0.28345(11) 0.0299(6) Uani 1 1 d . . . . .
C18 C 0.3930(3) 0.7476(2) 0.56130(12) 0.0353(7) Uani 1 1 d . . . . .
H18 H 0.430(3) 0.793(2) 0.5894(12) 0.042(8) Uiso 1 1 d . . . . .
C9 C 0.6674(3) 0.7656(2) 0.35386(11) 0.0314(6) Uani 1 1 d . . . . .
C27 C 0.3309(3) 0.3551(2) 0.11435(13) 0.0334(6) Uani 1 1 d . . . . .
H27A H 0.286(2) 0.3380(19) 0.1464(12) 0.036(7) Uiso 1 1 d . . . . .
H27B H 0.325(3) 0.298(2) 0.0862(13) 0.055(9) Uiso 1 1 d . . . . .
H27C H 0.292(3) 0.411(2) 0.0922(12) 0.042(8) Uiso 1 1 d . . . . .
C31 C 0.6949(2) 0.5128(2) 0.04279(11) 0.0328(6) Uani 1 1 d . . . . .
H31 H 0.754(2) 0.5449(19) 0.0227(11) 0.033(7) Uiso 1 1 d . . . . .
C37 C 0.6767(3) 0.3708(2) -0.03142(12) 0.0374(7) Uani 1 1 d . . . . .
H37 H 0.733(2) 0.4042(19) -0.0481(11) 0.031(7) Uiso 1 1 d . . . . .
C22 C 0.1872(3) 0.5116(2) 0.61270(12) 0.0386(7) Uani 1 1 d . . . . .
H22 H 0.139(3) 0.458(2) 0.6240(12) 0.040(8) Uiso 1 1 d . . . . .
C35 C 0.5466(3) 0.2304(2) -0.02524(12) 0.0385(7) Uani 1 1 d . . . . .
H35 H 0.507(3) 0.167(2) -0.0414(12) 0.049(9) Uiso 1 1 d . . . . .
C36 C 0.6272(3) 0.2808(2) -0.05384(12) 0.0403(7) Uani 1 1 d . . . . .
H36 H 0.645(3) 0.251(2) -0.0884(13) 0.044(8) Uiso 1 1 d . . . . .
C24 C 0.3027(3) 0.6636(2) 0.63892(12) 0.0451(8) Uani 1 1 d . . . . .
H24 H 0.338(3) 0.712(2) 0.6660(13) 0.050(9) Uiso 1 1 d . . . . .
C23 C 0.2367(3) 0.5874(2) 0.65509(13) 0.0471(8) Uani 1 1 d . . . . .
H23 H 0.225(3) 0.586(2) 0.6956(13) 0.053(9) Uiso 1 1 d . . . . .
C38 C 0.0936(3) 0.5342(3) 0.19551(18) 0.0628(10) Uani 1 1 d . . . . .
H38A H 0.127(4) 0.464(3) 0.2160(17) 0.091(13) Uiso 1 1 d . . . . .
H38B H 0.143(4) 0.597(3) 0.2043(17) 0.094(14) Uiso 1 1 d . . . . .
H9A H 0.754(3) 0.7423(19) 0.3667(11) 0.031(7) Uiso 1 1 d . . . . .
H11A H 0.451(2) 0.7969(19) 0.3917(10) 0.026(7) Uiso 1 1 d . . . . .
H9B H 0.663(2) 0.838(2) 0.3672(11) 0.033(7) Uiso 1 1 d . . . . .
H10A H 0.597(2) 0.627(2) 0.3758(11) 0.031(7) Uiso 1 1 d . . . . .
H21 H 0.168(2) 0.4579(18) 0.5251(11) 0.028(7) Uiso 1 1 d . . . . .
H13A H 0.333(2) 0.375(2) 0.4108(12) 0.034(7) Uiso 1 1 d . . . . .
H7A H 0.732(2) 0.6551(17) 0.2491(10) 0.023(6) Uiso 1 1 d . . . . .
H10B H 0.631(2) 0.703(2) 0.4305(12) 0.041(8) Uiso 1 1 d . . . . .
H13B H 0.429(3) 0.430(2) 0.4622(11) 0.036(7) Uiso 1 1 d . . . . .
H8A H 0.669(2) 0.8150(19) 0.2674(10) 0.028(7) Uiso 1 1 d . . . . .
H11B H 0.418(2) 0.7323(17) 0.3306(11) 0.024(6) Uiso 1 1 d . . . . .
Cl3 Cl 0.27463(7) 0.77199(6) 0.21797(3) 0.0473(2) Uani 1 1 d . . . . .
H7B H 0.640(2) 0.6071(18) 0.2803(10) 0.023(6) Uiso 1 1 d . . . . .
H8B H 0.538(2) 0.7821(18) 0.2704(10) 0.024(6) Uiso 1 1 d . . . . .
H13C H 0.309(3) 0.386(2) 0.4757(12) 0.041(8) Uiso 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
Cl2 C38 1.779(4) . ?
Cl1 C38 1.769(4) . ?
N1 C16 1.417(3) . ?
N1 C1 1.350(3) . ?
N1 C11 1.470(3) . ?
N2 C5 1.347(3) . ?
N2 C29 1.420(3) . ?
N2 C6 1.462(3) . ?
C16 C15 1.369(3) . ?
C16 C17 1.405(3) . ?
C5 C25 1.532(3) . ?
C5 C4 1.386(3) . ?
C15 C12 1.512(3) . ?
C15 C20 1.420(3) . ?
C12 C1 1.527(3) . ?
C12 C13 1.537(3) . ?
C12 C14 1.532(4) . ?
C29 C28 1.374(3) . ?
C29 C30 1.400(3) . ?
C33 C28 1.419(3) . ?
C33 C32 1.428(3) . ?
C33 C34 1.421(4) . ?
C1 C2 1.386(3) . ?
C6 H6A 0.95(2) . ?
C6 H6B 0.95(2) . ?
C6 C7 1.522(3) . ?
C28 C25 1.508(3) . ?
C3 H3 0.94(3) . ?
C3 C2 1.384(3) . ?
C3 C4 1.390(3) . ?
C11 C10 1.512(4) . ?
C11 H11A 0.97(2) . ?
C11 H11B 0.99(2) . ?
C2 H2 0.95(2) . ?
C20 C21 1.419(4) . ?
C20 C19 1.426(3) . ?
C25 C26 1.537(3) . ?
C25 C27 1.534(4) . ?
C4 H4 0.96(2) . ?
C32 C31 1.418(4) . ?
C32 C37 1.422(3) . ?
C13 H13A 0.92(3) . ?
C13 H13B 1.02(3) . ?
C13 H13C 0.95(3) . ?
C30 H30 0.98(3) . ?
C30 C31 1.366(3) . ?
C26 H26A 1.00(3) . ?
C26 H26B 0.97(3) . ?
C26 H26C 0.98(3) . ?
C7 C8 1.537(4) . ?
C7 H7A 1.01(3) . ?
C7 H7B 0.93(2) . ?
C21 C22 1.366(3) . ?
C21 H21 1.00(2) . ?
C14 H14A 0.98(3) . ?
C14 H14B 0.99(2) . ?
C14 H14C 0.93(3) . ?
C19 C18 1.411(4) . ?
C19 C24 1.424(4) . ?
C10 C9 1.532(3) . ?
C10 H10A 1.00(3) . ?
C10 H10B 0.97(3) . ?
C34 H34 0.92(3) . ?
C34 C35 1.369(4) . ?
C17 H17 0.95(3) . ?
C17 C18 1.365(4) . ?
C8 C9 1.534(3) . ?
C8 H8A 0.96(3) . ?
C8 H8B 1.01(3) . ?
C18 H18 0.90(3) . ?
C9 H9A 1.00(3) . ?
C9 H9B 1.00(3) . ?
C27 H27A 1.00(3) . ?
C27 H27B 0.98(3) . ?
C27 H27C 0.93(3) . ?
C31 H31 0.99(3) . ?
C37 H37 0.92(3) . ?
C37 C36 1.356(4) . ?
C22 H22 0.97(3) . ?
C22 C23 1.400(4) . ?
C35 H35 0.98(3) . ?
C35 C36 1.402(4) . ?
C36 H36 0.93(3) . ?
C24 H24 0.90(3) . ?
C24 C23 1.353(5) . ?
C23 H23 0.95(3) . ?
C38 H38A 1.06(4) . ?
C38 H38B 0.99(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
C16 N1 C11 123.10(19) . . ?
C1 N1 C16 110.57(19) . . ?
C1 N1 C11 126.16(19) . . ?
C5 N2 C29 110.58(19) . . ?
C5 N2 C6 125.3(2) . . ?
C29 N2 C6 123.70(19) . . ?
C15 C16 N1 109.8(2) . . ?
C15 C16 C17 123.0(2) . . ?
C17 C16 N1 127.2(2) . . ?
N2 C5 C25 108.95(19) . . ?
N2 C5 C4 130.3(2) . . ?
C4 C5 C25 120.8(2) . . ?
C16 C15 C12 108.96(19) . . ?
C16 C15 C20 120.6(2) . . ?
C20 C15 C12 130.3(2) . . ?
C15 C12 C1 101.70(18) . . ?
C15 C12 C13 111.07(19) . . ?
C15 C12 C14 113.8(2) . . ?
C1 C12 C13 108.3(2) . . ?
C1 C12 C14 109.46(19) . . ?
C14 C12 C13 111.8(2) . . ?
C28 C29 N2 109.7(2) . . ?
C28 C29 C30 123.8(2) . . ?
C30 C29 N2 126.5(2) . . ?
C28 C33 C32 117.4(2) . . ?
C28 C33 C34 124.5(2) . . ?
C34 C33 C32 118.1(2) . . ?
N1 C1 C12 108.86(18) . . ?
N1 C1 C2 131.4(2) . . ?
C2 C1 C12 119.7(2) . . ?
N2 C6 H6A 106.7(14) . . ?
N2 C6 H6B 105.8(14) . . ?
N2 C6 C7 114.9(2) . . ?
H6A C6 H6B 109(2) . . ?
C7 C6 H6A 109.5(13) . . ?
C7 C6 H6B 111.1(15) . . ?
C29 C28 C33 119.7(2) . . ?
C29 C28 C25 108.98(19) . . ?
C33 C28 C25 131.3(2) . . ?
C2 C3 H3 120.3(14) . . ?
C2 C3 C4 119.9(2) . . ?
C4 C3 H3 119.8(14) . . ?
N1 C11 C10 111.5(2) . . ?
N1 C11 H11A 106.5(14) . . ?
N1 C11 H11B 105.2(14) . . ?
C10 C11 H11A 111.3(15) . . ?
C10 C11 H11B 114.5(14) . . ?
H11A C11 H11B 107.3(19) . . ?
C1 C2 H2 113.4(13) . . ?
C3 C2 C1 131.7(2) . . ?
C3 C2 H2 114.6(14) . . ?
C15 C20 C19 116.9(2) . . ?
C21 C20 C15 124.5(2) . . ?
C21 C20 C19 118.5(2) . . ?
C5 C25 C26 109.10(19) . . ?
C5 C25 C27 109.4(2) . . ?
C28 C25 C5 101.68(19) . . ?
C28 C25 C26 112.1(2) . . ?
C28 C25 C27 114.3(2) . . ?
C27 C25 C26 109.9(2) . . ?
C5 C4 C3 131.7(2) . . ?
C5 C4 H4 114.5(14) . . ?
C3 C4 H4 113.7(14) . . ?
C31 C32 C33 119.7(2) . . ?
C31 C32 C37 121.4(2) . . ?
C37 C32 C33 118.8(2) . . ?
C12 C13 H13A 111.2(16) . . ?
C12 C13 H13B 108.7(15) . . ?
C12 C13 H13C 112.2(17) . . ?
H13A C13 H13B 107(2) . . ?
H13A C13 H13C 111(2) . . ?
H13B C13 H13C 106(2) . . ?
C29 C30 H30 119.5(14) . . ?
C31 C30 C29 117.0(2) . . ?
C31 C30 H30 123.6(14) . . ?
C25 C26 H26A 108.8(16) . . ?
C25 C26 H26B 110.9(16) . . ?
C25 C26 H26C 110.9(15) . . ?
H26A C26 H26B 106(2) . . ?
H26A C26 H26C 111(2) . . ?
H26B C26 H26C 110(2) . . ?
C6 C7 C8 110.2(2) . . ?
C6 C7 H7A 112.0(13) . . ?
C6 C7 H7B 110.2(15) . . ?
C8 C7 H7A 110.2(13) . . ?
C8 C7 H7B 110.5(14) . . ?
H7A C7 H7B 104(2) . . ?
C20 C21 H21 120.5(14) . . ?
C22 C21 C20 120.7(3) . . ?
C22 C21 H21 118.7(14) . . ?
C12 C14 H14A 110.0(16) . . ?
C12 C14 H14B 109.7(15) . . ?
C12 C14 H14C 109.8(19) . . ?
H14A C14 H14B 109(2) . . ?
H14A C14 H14C 108(2) . . ?
H14B C14 H14C 111(2) . . ?
C18 C19 C20 119.7(2) . . ?
C18 C19 C24 121.8(3) . . ?
C24 C19 C20 118.4(3) . . ?
C11 C10 C9 113.7(2) . . ?
C11 C10 H10A 109.5(15) . . ?
C11 C10 H10B 111.2(16) . . ?
C9 C10 H10A 110.6(14) . . ?
C9 C10 H10B 106.7(16) . . ?
H10A C10 H10B 105(2) . . ?
C33 C34 H34 119.0(16) . . ?
C35 C34 C33 120.9(3) . . ?
C35 C34 H34 120.1(16) . . ?
C16 C17 H17 119.0(16) . . ?
C18 C17 C16 117.0(3) . . ?
C18 C17 H17 124.0(16) . . ?
C7 C8 H8A 109.6(15) . . ?
C7 C8 H8B 109.5(13) . . ?
C9 C8 C7 115.2(2) . . ?
C9 C8 H8A 107.9(14) . . ?
C9 C8 H8B 109.1(13) . . ?
H8A C8 H8B 105(2) . . ?
C19 C18 H18 119.7(18) . . ?
C17 C18 C19 122.7(2) . . ?
C17 C18 H18 117.2(18) . . ?
C10 C9 C8 114.5(2) . . ?
C10 C9 H9A 107.9(14) . . ?
C10 C9 H9B 108.7(14) . . ?
C8 C9 H9A 108.9(14) . . ?
C8 C9 H9B 107.9(14) . . ?
H9A C9 H9B 109(2) . . ?
C25 C27 H27A 109.2(15) . . ?
C25 C27 H27B 110.9(18) . . ?
C25 C27 H27C 111.6(18) . . ?
H27A C27 H27B 109(2) . . ?
H27A C27 H27C 108(2) . . ?
H27B C27 H27C 108(2) . . ?
C32 C31 H31 117.9(14) . . ?
C30 C31 C32 122.3(2) . . ?
C30 C31 H31 119.8(15) . . ?
C32 C37 H37 116.6(16) . . ?
C36 C37 C32 121.2(3) . . ?
C36 C37 H37 122.2(16) . . ?
C21 C22 H22 118.7(16) . . ?
C21 C22 C23 120.7(3) . . ?
C23 C22 H22 120.6(16) . . ?
C34 C35 H35 117.2(17) . . ?
C34 C35 C36 120.7(3) . . ?
C36 C35 H35 122.1(17) . . ?
C37 C36 C35 120.2(3) . . ?
C37 C36 H36 121.5(18) . . ?
C35 C36 H36 118.3(18) . . ?
C19 C24 H24 117.0(19) . . ?
C23 C24 C19 121.2(3) . . ?
C23 C24 H24 121.8(19) . . ?
C22 C23 H23 120.3(19) . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.2(19) . . ?
Cl2 C38 H38A 107(2) . . ?
Cl2 C38 H38B 106(2) . . ?
Cl1 C38 Cl2 110.3(2) . . ?
Cl1 C38 H38A 103(2) . . ?
Cl1 C38 H38B 109(2) . . ?
H38A C38 H38B 121(3) . . ?

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 C16 C15 C12 2.3(3) . . . . ?
N1 C16 C15 C20 178.5(2) . . . . ?
N1 C16 C17 C18 -177.0(2) . . . . ?
N1 C1 C2 C3 3.8(5) . . . . ?
N1 C11 C10 C9 175.3(2) . . . . ?
N2 C5 C25 C28 -1.5(2) . . . . ?
N2 C5 C25 C26 117.0(2) . . . . ?
N2 C5 C25 C27 -122.7(2) . . . . ?
N2 C5 C4 C3 -4.0(5) . . . . ?
N2 C29 C28 C33 176.7(2) . . . . ?
N2 C29 C28 C25 -3.8(3) . . . . ?
N2 C29 C30 C31 -179.1(2) . . . . ?
N2 C6 C7 C8 -162.7(2) . . . . ?
C16 N1 C1 C12 3.6(3) . . . . ?
C16 N1 C1 C2 -173.6(3) . . . . ?
C16 N1 C11 C10 91.6(3) . . . . ?
C16 C15 C12 C1 -0.2(2) . . . . ?
C16 C15 C12 C13 114.9(2) . . . . ?
C16 C15 C12 C14 -117.8(2) . . . . ?
C16 C15 C20 C21 179.6(2) . . . . ?
C16 C15 C20 C19 -1.7(3) . . . . ?
C16 C17 C18 C19 -0.6(4) . . . . ?
C5 N2 C29 C28 2.9(3) . . . . ?
C5 N2 C29 C30 -177.1(2) . . . . ?
C5 N2 C6 C7 82.5(3) . . . . ?
C15 C16 C17 C18 0.9(4) . . . . ?
C15 C12 C1 N1 -2.1(2) . . . . ?
C15 C12 C1 C2 175.5(2) . . . . ?
C15 C20 C21 C22 177.6(3) . . . . ?
C15 C20 C19 C18 2.0(4) . . . . ?
C15 C20 C19 C24 -177.2(2) . . . . ?
C12 C15 C20 C21 -5.0(4) . . . . ?
C12 C15 C20 C19 173.6(2) . . . . ?
C12 C1 C2 C3 -173.1(3) . . . . ?
C29 N2 C5 C25 -0.7(3) . . . . ?
C29 N2 C5 C4 178.8(2) . . . . ?
C29 N2 C6 C7 -106.1(3) . . . . ?
C29 C28 C25 C5 3.2(2) . . . . ?
C29 C28 C25 C26 -113.2(2) . . . . ?
C29 C28 C25 C27 120.9(2) . . . . ?
C29 C30 C31 C32 1.8(4) . . . . ?
C33 C28 C25 C5 -177.4(2) . . . . ?
C33 C28 C25 C26 66.2(3) . . . . ?
C33 C28 C25 C27 -59.6(3) . . . . ?
C33 C32 C31 C30 -2.1(4) . . . . ?
C33 C32 C37 C36 1.9(4) . . . . ?
C33 C34 C35 C36 2.2(4) . . . . ?
C1 N1 C16 C15 -3.8(3) . . . . ?
C1 N1 C16 C17 174.4(2) . . . . ?
C1 N1 C11 C10 -83.1(3) . . . . ?
C6 N2 C5 C25 171.7(2) . . . . ?
C6 N2 C5 C4 -8.8(4) . . . . ?
C6 N2 C29 C28 -169.6(2) . . . . ?
C6 N2 C29 C30 10.4(4) . . . . ?
C6 C7 C8 C9 152.5(2) . . . . ?
C28 C29 C30 C31 1.0(4) . . . . ?
C28 C33 C32 C31 -0.3(3) . . . . ?
C28 C33 C32 C37 -179.7(2) . . . . ?
C28 C33 C34 C35 177.6(2) . . . . ?
C11 N1 C16 C15 -179.3(2) . . . . ?
C11 N1 C16 C17 -1.1(4) . . . . ?
C11 N1 C1 C12 178.9(2) . . . . ?
C11 N1 C1 C2 1.7(4) . . . . ?
C11 C10 C9 C8 -62.2(3) . . . . ?
C2 C3 C4 C5 -173.9(3) . . . . ?
C20 C15 C12 C1 -175.9(2) . . . . ?
C20 C15 C12 C13 -60.8(3) . . . . ?
C20 C15 C12 C14 66.5(3) . . . . ?
C20 C21 C22 C23 -0.2(4) . . . . ?
C20 C19 C18 C17 -0.9(4) . . . . ?
C20 C19 C24 C23 -0.8(4) . . . . ?
C25 C5 C4 C3 175.5(3) . . . . ?
C4 C5 C25 C28 179.0(2) . . . . ?
C4 C5 C25 C26 -62.5(3) . . . . ?
C4 C5 C25 C27 57.8(3) . . . . ?
C4 C3 C2 C1 170.6(3) . . . . ?
C32 C33 C28 C29 2.9(3) . . . . ?
C32 C33 C28 C25 -176.5(2) . . . . ?
C32 C33 C34 C35 -1.1(4) . . . . ?
C32 C37 C36 C35 -0.9(4) . . . . ?
C13 C12 C1 N1 -119.2(2) . . . . ?
C13 C12 C1 C2 58.4(3) . . . . ?
C30 C29 C28 C33 -3.4(4) . . . . ?
C30 C29 C28 C25 176.1(2) . . . . ?
C7 C8 C9 C10 -67.6(3) . . . . ?
C21 C20 C19 C18 -179.3(2) . . . . ?
C21 C20 C19 C24 1.5(4) . . . . ?
C21 C22 C23 C24 1.0(5) . . . . ?
C14 C12 C1 N1 118.6(2) . . . . ?
C14 C12 C1 C2 -63.8(3) . . . . ?
C19 C20 C21 C22 -1.1(4) . . . . ?
C19 C24 C23 C22 -0.4(5) . . . . ?
C34 C33 C28 C29 -175.9(2) . . . . ?
C34 C33 C28 C25 4.8(4) . . . . ?
C34 C33 C32 C31 178.6(2) . . . . ?
C34 C33 C32 C37 -0.9(3) . . . . ?
C34 C35 C36 C37 -1.1(4) . . . . ?
C17 C16 C15 C12 -176.0(2) . . . . ?
C17 C16 C15 C20 0.3(4) . . . . ?
C18 C19 C24 C23 180.0(3) . . . . ?
C31 C32 C37 C36 -177.5(3) . . . . ?
C37 C32 C31 C30 177.3(2) . . . . ?
C24 C19 C18 C17 178.3(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CDCl3'
