# Electronic Supplementary Material (ESI) for Organic & Biomolecular 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. 
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data_lrcbr8_02
_database_code_depnum_ccdc_archive 'CCDC 2346484'
loop_
_audit_author_name
_audit_author_address
'Prof. Pallepogu Raghavaiah'
;Centarl university of karnataka
India
;
_audit_update_record             
;
2024-05-18 deposited with the CCDC.	2024-05-31 downloaded from the CCDC.
;
_audit_creation_date             2024-04-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelxl_version_number           2012-9
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C30 H19 Br Cl2 N4 O2'
_chemical_formula_sum            'C30 H19 Br Cl2 N4 O2'
_chemical_formula_weight         618.30
_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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   10.744(4)
_cell_length_b                   18.229(8)
_cell_length_c                   13.664(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.484(15)
_cell_angle_gamma                90
_cell_volume                     2659.1(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8341
_cell_measurement_temperature    294.0
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.783
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0690
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            54414
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.339
_diffrn_reflns_theta_min         1.908
_diffrn_ambient_temperature      294.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4893
_reflns_number_total             6610
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6610
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0482
_refine_ls_restrained_S_all      1.022
_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)+(0.0580P)²+1.9264P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1308
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 C16(H16), C17(H17), C18(H18)
2.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C1(H1), C2(H2), C3(H3A), C6(H6), C12(H12), C13(H13), C14(H14),
 C15(H15), C20(H20), C21(H21), C22(H22), C23(H23), C26(H26), C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Br1 Br 1.02416(3) 0.35686(2) -0.04395(2) 0.06422(13) Uani 1 1 d . . . . .
Cl1 Cl 0.49395(8) 0.26853(5) 0.62548(7) 0.0705(2) Uani 1 1 d . . . . .
Cl2 Cl 0.67521(10) 0.29024(5) 0.82235(6) 0.0751(3) Uani 1 1 d . . . . .
O1 O 0.9952(2) 0.40834(15) 0.4908(2) 0.0824(8) Uani 1 1 d . . . . .
O2 O 0.8500(2) 0.33185(12) 0.44488(18) 0.0676(6) Uani 1 1 d . . . . .
N1 N 0.76657(19) 0.60524(11) 0.30368(16) 0.0409(5) Uani 1 1 d . . . . .
N2 N 0.6116(2) 0.64660(12) 0.12715(16) 0.0446(5) Uani 1 1 d . . . . .
N3 N 0.60407(19) 0.49197(12) 0.40476(15) 0.0414(5) Uani 1 1 d . . . . .
H3 H 0.5303 0.4952 0.4232 0.050 Uiso 1 1 calc R U . . .
N4 N 0.8927(2) 0.39315(13) 0.44891(16) 0.0454(5) Uani 1 1 d . . . . .
C1 C 0.8302(3) 0.79950(18) 0.1573(3) 0.0652(9) Uani 1 1 d . . . . .
H1 H 0.8456 0.8432 0.1256 0.078 Uiso 1 1 calc R U . . .
C2 C 0.9076(3) 0.77926(18) 0.2420(3) 0.0655(9) Uani 1 1 d . . . . .
H2 H 0.9744 0.8092 0.2656 0.079 Uiso 1 1 calc R U . . .
C3 C 0.8860(3) 0.71602(17) 0.2906(2) 0.0570(7) Uani 1 1 d . . . . .
H3A H 0.9371 0.7033 0.3476 0.068 Uiso 1 1 calc R U . . .
C4 C 0.7857(2) 0.66979(14) 0.25430(19) 0.0417(5) Uani 1 1 d . . . . .
C5 C 0.7087(2) 0.69003(14) 0.16751(19) 0.0425(6) Uani 1 1 d . . . . .
C6 C 0.7333(3) 0.75662(17) 0.1205(2) 0.0570(7) Uani 1 1 d . . . . .
H6 H 0.6827 0.7710 0.0641 0.068 Uiso 1 1 calc R U . . .
C7 C 0.6736(2) 0.56577(13) 0.26371(17) 0.0348(5) Uani 1 1 d . . . . .
C8 C 0.5958(2) 0.58643(14) 0.17609(17) 0.0374(5) Uani 1 1 d . . . . .
C9 C 0.6313(2) 0.49220(13) 0.30200(18) 0.0352(5) Uani 1 1 d . . . . .
C10 C 0.5179(2) 0.47559(14) 0.22803(18) 0.0380(5) Uani 1 1 d . . . . .
C11 C 0.5001(2) 0.52964(14) 0.15513(18) 0.0386(5) Uani 1 1 d . . . . .
C12 C 0.4024(2) 0.52498(17) 0.0791(2) 0.0487(6) Uani 1 1 d . . . . .
H12 H 0.3908 0.5611 0.0309 0.058 Uiso 1 1 calc R U . . .
C13 C 0.3235(2) 0.46529(19) 0.0776(2) 0.0558(8) Uani 1 1 d . . . . .
H13 H 0.2581 0.4609 0.0272 0.067 Uiso 1 1 calc R U . . .
C14 C 0.3398(3) 0.41156(18) 0.1499(3) 0.0582(8) Uani 1 1 d . . . . .
H14 H 0.2850 0.3719 0.1472 0.070 Uiso 1 1 calc R U . . .
C15 C 0.4371(2) 0.41594(16) 0.2267(2) 0.0501(6) Uani 1 1 d . . . . .
H15 H 0.4475 0.3801 0.2754 0.060 Uiso 1 1 calc R U . . .
C16 C 0.7349(2) 0.43240(13) 0.30799(17) 0.0330(5) Uani 1 1 d . . . . .
H16 H 0.6949 0.3858 0.3220 0.040 Uiso 1 1 calc R U . . .
C17 C 0.8151(2) 0.45538(13) 0.40236(17) 0.0356(5) Uani 1 1 d . . . . .
H17 H 0.8711 0.4952 0.3871 0.043 Uiso 1 1 calc R U . . .
C18 C 0.7204(2) 0.48552(14) 0.47158(18) 0.0384(5) Uani 1 1 d . . . . .
H18 H 0.7472 0.5345 0.4946 0.046 Uiso 1 1 calc R U . . .
C19 C 0.8030(2) 0.42000(12) 0.21886(17) 0.0332(5) Uani 1 1 d . . . . .
C20 C 0.9039(2) 0.46206(14) 0.1968(2) 0.0428(6) Uani 1 1 d . . . . .
H20 H 0.9287 0.5024 0.2359 0.051 Uiso 1 1 calc R U . . .
C21 C 0.9684(2) 0.44489(15) 0.1173(2) 0.0454(6) Uani 1 1 d . . . . .
H21 H 1.0363 0.4732 0.1035 0.054 Uiso 1 1 calc R U . . .
C22 C 0.7658(2) 0.36174(14) 0.15669(19) 0.0427(6) Uani 1 1 d . . . . .
H22 H 0.6966 0.3340 0.1690 0.051 Uiso 1 1 calc R U . . .
C23 C 0.8286(3) 0.34392(16) 0.0770(2) 0.0483(6) Uani 1 1 d . . . . .
H23 H 0.8024 0.3046 0.0364 0.058 Uiso 1 1 calc R U . . .
C24 C 0.9303(2) 0.38525(15) 0.05899(18) 0.0418(5) Uani 1 1 d . . . . .
C25 C 0.7042(2) 0.43750(14) 0.56007(18) 0.0398(5) Uani 1 1 d . . . . .
C26 C 0.6176(2) 0.38133(15) 0.55432(18) 0.0407(5) Uani 1 1 d . . . . .
H26 H 0.5662 0.3734 0.4959 0.049 Uiso 1 1 calc R U . . .
C27 C 0.7796(3) 0.44909(18) 0.6486(2) 0.0547(7) Uani 1 1 d . . . . .
H27 H 0.8362 0.4878 0.6543 0.066 Uiso 1 1 calc R U . . .
C28 C 0.7704(3) 0.4032(2) 0.7282(2) 0.0621(8) Uani 1 1 d . . . . .
H28 H 0.8227 0.4104 0.7864 0.074 Uiso 1 1 calc R U . . .
C29 C 0.6842(3) 0.34691(17) 0.7216(2) 0.0518(7) Uani 1 1 d . . . . .
C30 C 0.6067(2) 0.33659(15) 0.6348(2) 0.0452(6) 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
Br1 C24 1.893(3) . ?
Cl1 C30 1.728(3) . ?
Cl2 C29 1.732(3) . ?
O1 N4 1.214(3) . ?
O2 N4 1.207(3) . ?
N1 C4 1.383(3) . ?
N1 C7 1.300(3) . ?
N2 C5 1.375(3) . ?
N2 C8 1.306(3) . ?
N3 H3 0.8600 . ?
N3 C9 1.467(3) . ?
N3 C18 1.467(3) . ?
N4 C17 1.506(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.397(5) . ?
C1 C6 1.352(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.363(5) . ?
C3 H3A 0.9300 . ?
C3 C4 1.412(4) . ?
C4 C5 1.416(4) . ?
C5 C6 1.412(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.431(3) . ?
C7 C9 1.527(3) . ?
C8 C11 1.464(3) . ?
C9 C10 1.524(3) . ?
C9 C16 1.553(3) . ?
C10 C11 1.399(4) . ?
C10 C15 1.390(4) . ?
C11 C12 1.393(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.378(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.388(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.397(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9800 . ?
C16 C17 1.527(3) . ?
C16 C19 1.507(3) . ?
C17 H17 0.9800 . ?
C17 C18 1.565(3) . ?
C18 H18 0.9800 . ?
C18 C25 1.519(4) . ?
C19 C20 1.389(3) . ?
C19 C22 1.390(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(4) . ?
C21 H21 0.9300 . ?
C21 C24 1.382(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.372(4) . ?
C25 C26 1.379(4) . ?
C25 C27 1.394(4) . ?
C26 H26 0.9300 . ?
C26 C30 1.385(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.384(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(5) . ?
C29 C30 1.383(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
C7 N1 C4 114.5(2) . . ?
C8 N2 C5 114.5(2) . . ?
C9 N3 H3 124.8 . . ?
C9 N3 C18 110.37(18) . . ?
C18 N3 H3 124.8 . . ?
O1 N4 C17 117.2(2) . . ?
O2 N4 O1 123.6(2) . . ?
O2 N4 C17 119.2(2) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C6 C1 C2 121.1(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3A 120.0 . . ?
C2 C3 C4 119.9(3) . . ?
C4 C3 H3A 120.0 . . ?
N1 C4 C3 119.1(2) . . ?
N1 C4 C5 121.7(2) . . ?
C3 C4 C5 119.3(3) . . ?
N2 C5 C4 122.1(2) . . ?
N2 C5 C6 119.0(3) . . ?
C6 C5 C4 118.9(3) . . ?
C1 C6 C5 120.3(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
N1 C7 C8 123.7(2) . . ?
N1 C7 C9 125.9(2) . . ?
C8 C7 C9 110.5(2) . . ?
N2 C8 C7 123.5(2) . . ?
N2 C8 C11 128.5(2) . . ?
C7 C8 C11 108.0(2) . . ?
N3 C9 C7 115.5(2) . . ?
N3 C9 C10 113.78(19) . . ?
N3 C9 C16 99.61(18) . . ?
C7 C9 C16 113.29(18) . . ?
C10 C9 C7 101.19(19) . . ?
C10 C9 C16 114.22(19) . . ?
C11 C10 C9 111.5(2) . . ?
C15 C10 C9 128.0(2) . . ?
C15 C10 C11 120.5(2) . . ?
C10 C11 C8 108.8(2) . . ?
C12 C11 C8 130.0(3) . . ?
C12 C11 C10 121.2(2) . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 118.0(3) . . ?
C13 C12 H12 121.0 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.2(3) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(3) . . ?
C15 C14 H14 119.4 . . ?
C10 C15 C14 117.9(3) . . ?
C10 C15 H15 121.1 . . ?
C14 C15 H15 121.1 . . ?
C9 C16 H16 106.9 . . ?
C17 C16 C9 100.66(18) . . ?
C17 C16 H16 106.9 . . ?
C19 C16 C9 118.22(19) . . ?
C19 C16 H16 106.9 . . ?
C19 C16 C17 116.39(19) . . ?
N4 C17 C16 112.5(2) . . ?
N4 C17 H17 109.0 . . ?
N4 C17 C18 112.09(19) . . ?
C16 C17 H17 109.0 . . ?
C16 C17 C18 105.24(18) . . ?
C18 C17 H17 109.0 . . ?
N3 C18 C17 102.62(18) . . ?
N3 C18 H18 109.0 . . ?
N3 C18 C25 112.1(2) . . ?
C17 C18 H18 109.0 . . ?
C25 C18 C17 114.8(2) . . ?
C25 C18 H18 109.0 . . ?
C20 C19 C16 123.7(2) . . ?
C20 C19 C22 117.8(2) . . ?
C22 C19 C16 118.4(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.1(2) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 H21 120.4 . . ?
C24 C21 C20 119.1(2) . . ?
C24 C21 H21 120.4 . . ?
C19 C22 H22 119.1 . . ?
C23 C22 C19 121.9(2) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 H23 120.6 . . ?
C24 C23 C22 118.8(2) . . ?
C24 C23 H23 120.6 . . ?
C21 C24 Br1 119.7(2) . . ?
C23 C24 Br1 119.0(2) . . ?
C23 C24 C21 121.2(2) . . ?
C26 C25 C18 121.3(2) . . ?
C26 C25 C27 118.9(3) . . ?
C27 C25 C18 119.8(2) . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C30 120.6(2) . . ?
C30 C26 H26 119.7 . . ?
C25 C27 H27 119.8 . . ?
C28 C27 C25 120.3(3) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 Cl2 119.3(2) . . ?
C28 C29 C30 119.5(3) . . ?
C30 C29 Cl2 121.2(3) . . ?
C26 C30 Cl1 119.1(2) . . ?
C29 C30 Cl1 120.7(2) . . ?
C29 C30 C26 120.3(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
Cl2 C29 C30 Cl1 2.3(3) . . . . ?
Cl2 C29 C30 C26 -178.3(2) . . . . ?
O1 N4 C17 C16 146.0(3) . . . . ?
O1 N4 C17 C18 -95.6(3) . . . . ?
O2 N4 C17 C16 -35.6(3) . . . . ?
O2 N4 C17 C18 82.8(3) . . . . ?
N1 C4 C5 N2 -0.5(4) . . . . ?
N1 C4 C5 C6 -179.9(2) . . . . ?
N1 C7 C8 N2 0.8(4) . . . . ?
N1 C7 C8 C11 -178.6(2) . . . . ?
N1 C7 C9 N3 54.4(3) . . . . ?
N1 C7 C9 C10 177.7(2) . . . . ?
N1 C7 C9 C16 -59.5(3) . . . . ?
N2 C5 C6 C1 -178.4(3) . . . . ?
N2 C8 C11 C10 -179.1(2) . . . . ?
N2 C8 C11 C12 -0.2(4) . . . . ?
N3 C9 C10 C11 126.8(2) . . . . ?
N3 C9 C10 C15 -53.4(3) . . . . ?
N3 C9 C16 C17 -45.1(2) . . . . ?
N3 C9 C16 C19 -172.99(19) . . . . ?
N3 C18 C25 C26 29.0(3) . . . . ?
N3 C18 C25 C27 -152.3(2) . . . . ?
N4 C17 C18 N3 -134.5(2) . . . . ?
N4 C17 C18 C25 -12.6(3) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C2 C1 C6 C5 -0.1(5) . . . . ?
C2 C3 C4 N1 178.9(3) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C3 C4 C5 N2 178.4(3) . . . . ?
C3 C4 C5 C6 -1.0(4) . . . . ?
C4 N1 C7 C8 -0.3(3) . . . . ?
C4 N1 C7 C9 179.9(2) . . . . ?
C4 C5 C6 C1 1.1(4) . . . . ?
C5 N2 C8 C7 -1.1(4) . . . . ?
C5 N2 C8 C11 178.2(2) . . . . ?
C6 C1 C2 C3 -0.9(5) . . . . ?
C7 N1 C4 C3 -178.8(2) . . . . ?
C7 N1 C4 C5 0.2(4) . . . . ?
C7 C8 C11 C10 0.3(3) . . . . ?
C7 C8 C11 C12 179.2(2) . . . . ?
C7 C9 C10 C11 2.3(2) . . . . ?
C7 C9 C10 C15 -177.9(2) . . . . ?
C7 C9 C16 C17 78.1(2) . . . . ?
C7 C9 C16 C19 -49.8(3) . . . . ?
C8 N2 C5 C4 1.0(4) . . . . ?
C8 N2 C5 C6 -179.6(2) . . . . ?
C8 C7 C9 N3 -125.5(2) . . . . ?
C8 C7 C9 C10 -2.1(2) . . . . ?
C8 C7 C9 C16 120.6(2) . . . . ?
C8 C11 C12 C13 -178.9(3) . . . . ?
C9 N3 C18 C17 -18.5(3) . . . . ?
C9 N3 C18 C25 -142.2(2) . . . . ?
C9 C7 C8 N2 -179.3(2) . . . . ?
C9 C7 C8 C11 1.3(3) . . . . ?
C9 C10 C11 C8 -1.7(3) . . . . ?
C9 C10 C11 C12 179.2(2) . . . . ?
C9 C10 C15 C14 -178.9(2) . . . . ?
C9 C16 C17 N4 157.64(19) . . . . ?
C9 C16 C17 C18 35.3(2) . . . . ?
C9 C16 C19 C20 83.0(3) . . . . ?
C9 C16 C19 C22 -99.2(3) . . . . ?
C10 C9 C16 C17 -166.7(2) . . . . ?
C10 C9 C16 C19 65.4(3) . . . . ?
C10 C11 C12 C13 -0.1(4) . . . . ?
C11 C10 C15 C14 0.9(4) . . . . ?
C11 C12 C13 C14 0.5(4) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C13 C14 C15 C10 -0.5(4) . . . . ?
C15 C10 C11 C8 178.5(2) . . . . ?
C15 C10 C11 C12 -0.6(4) . . . . ?
C16 C9 C10 C11 -119.7(2) . . . . ?
C16 C9 C10 C15 60.1(3) . . . . ?
C16 C17 C18 N3 -11.8(2) . . . . ?
C16 C17 C18 C25 110.0(2) . . . . ?
C16 C19 C20 C21 175.5(2) . . . . ?
C16 C19 C22 C23 -175.8(2) . . . . ?
C17 C16 C19 C20 -37.0(3) . . . . ?
C17 C16 C19 C22 140.8(2) . . . . ?
C17 C18 C25 C26 -87.6(3) . . . . ?
C17 C18 C25 C27 91.1(3) . . . . ?
C18 N3 C9 C7 -81.1(2) . . . . ?
C18 N3 C9 C10 162.5(2) . . . . ?
C18 N3 C9 C16 40.6(2) . . . . ?
C18 C25 C26 C30 178.0(2) . . . . ?
C18 C25 C27 C28 -176.5(3) . . . . ?
C19 C16 C17 N4 -73.3(3) . . . . ?
C19 C16 C17 C18 164.4(2) . . . . ?
C19 C20 C21 C24 0.5(4) . . . . ?
C19 C22 C23 C24 -0.2(4) . . . . ?
C20 C19 C22 C23 2.1(4) . . . . ?
C20 C21 C24 Br1 -175.5(2) . . . . ?
C20 C21 C24 C23 1.5(4) . . . . ?
C22 C19 C20 C21 -2.3(4) . . . . ?
C22 C23 C24 Br1 175.4(2) . . . . ?
C22 C23 C24 C21 -1.6(4) . . . . ?
C25 C26 C30 Cl1 178.17(19) . . . . ?
C25 C26 C30 C29 -1.2(4) . . . . ?
C25 C27 C28 C29 -1.9(5) . . . . ?
C26 C25 C27 C28 2.3(4) . . . . ?
C27 C25 C26 C30 -0.7(4) . . . . ?
C27 C28 C29 Cl2 179.9(2) . . . . ?
C27 C28 C29 C30 -0.1(5) . . . . ?
C28 C29 C30 Cl1 -177.8(2) . . . . ?
C28 C29 C30 C26 1.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
