# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# 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_rc_sb266_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2388791'
loop_
_audit_author_name
_audit_author_address
'P. Ragahvaiah'
;Central University of Karnataka
India
;
_audit_update_record             
;
2024-10-04 deposited with the CCDC.	2024-12-03 downloaded from the CCDC.
;
_audit_creation_date             2024-10-04
_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         'C27 H20 Cl F3 N2 O3'
_chemical_formula_sum            'C27 H20 Cl F3 N2 O3'
_chemical_formula_weight         512.90
_chemical_absolute_configuration rm
_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'
F F 0.0171 0.0103 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.8332(9)
_cell_length_b                   16.149(2)
_cell_length_c                   21.497(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2372.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9597
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      25.69
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   0.946
_shelx_estimated_absorpt_T_min   0.926
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1425 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.9435.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            81429
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.307
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_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_standards_number         0
_reflns_Friedel_coverage         0.758
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                4776
_reflns_number_total             5878
_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         0.179
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.032
_refine_ls_abs_structure_details 
;
 Flack x determined using 1849 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_coef       0.0120(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         5878
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.028
_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)+(0.0382P)²+0.5052P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0858
_refine_ls_wR_factor_ref         0.0949
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C20(H20)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cl1 Cl 1.14590(16) 0.51598(7) 0.65870(4) 0.0893(3) Uani 1 1 d . . . . .
F1 F 1.1108(3) 0.57654(14) 0.29136(9) 0.0836(6) Uani 1 1 d . . . . .
F2 F 0.9366(4) 0.48481(16) 0.24825(8) 0.1005(8) Uani 1 1 d . . . . .
F3 F 0.8084(4) 0.59886(17) 0.27789(11) 0.1046(8) Uani 1 1 d . . . . .
O1 O 0.4251(3) 0.41724(14) 0.50544(9) 0.0604(5) Uani 1 1 d . . . . .
O2 O 0.5291(3) 0.64609(13) 0.38906(9) 0.0628(6) Uani 1 1 d . . . . .
O3 O 0.3065(3) 0.49056(14) 0.42622(11) 0.0642(6) Uani 1 1 d . . . . .
N1 N 0.5280(3) 0.64705(12) 0.49618(10) 0.0436(5) Uani 1 1 d . . . . .
N2 N 0.9137(3) 0.56285(12) 0.40541(9) 0.0365(4) Uani 1 1 d . . . . .
H2 H 1.036(5) 0.5599(17) 0.4238(13) 0.050(8) Uiso 1 1 d . . . . .
C1 C 0.6908(3) 0.46412(14) 0.36219(10) 0.0341(5) Uani 1 1 d . . . . .
H1 H 0.5993 0.5041 0.3440 0.041 Uiso 1 1 calc R U . . .
C2 C 0.6515(4) 0.38130(15) 0.33103(10) 0.0396(5) Uani 1 1 d . . . . .
C3 C 0.7852(5) 0.31756(17) 0.32912(13) 0.0561(7) Uani 1 1 d . . . . .
H3 H 0.9060 0.3238 0.3485 0.067 Uiso 1 1 calc R U . . .
C4 C 0.7417(6) 0.2439(2) 0.29845(15) 0.0733(10) Uani 1 1 d . . . . .
H4 H 0.8339 0.2016 0.2976 0.088 Uiso 1 1 calc R U . . .
C5 C 0.5651(6) 0.2330(2) 0.26961(15) 0.0755(11) Uani 1 1 d . . . . .
H5 H 0.5371 0.1836 0.2492 0.091 Uiso 1 1 calc R U . . .
C6 C 0.4304(5) 0.2955(2) 0.27122(13) 0.0658(9) Uani 1 1 d . . . . .
H6 H 0.3099 0.2886 0.2518 0.079 Uiso 1 1 calc R U . . .
C7 C 0.4722(4) 0.36960(18) 0.30162(11) 0.0501(6) Uani 1 1 d . . . . .
H7 H 0.3793 0.4117 0.3023 0.060 Uiso 1 1 calc R U . . .
C8 C 0.6599(3) 0.46633(13) 0.43355(10) 0.0310(4) Uani 1 1 d . . . . .
C9 C 0.7459(3) 0.40069(13) 0.47504(10) 0.0335(5) Uani 1 1 d . . . . .
C10 C 0.9309(4) 0.36699(14) 0.48129(12) 0.0433(6) Uani 1 1 d . . . . .
H10 H 1.0282 0.3786 0.4523 0.052 Uiso 1 1 calc R U . . .
C11 C 0.9687(5) 0.31547(17) 0.53153(14) 0.0623(9) Uani 1 1 d . . . . .
H11 H 1.0923 0.2921 0.5360 0.075 Uiso 1 1 calc R U . . .
C12 C 0.8272(7) 0.2986(2) 0.57461(16) 0.0821(12) Uani 1 1 d . . . . .
H12 H 0.8569 0.2646 0.6082 0.099 Uiso 1 1 calc R U . . .
C13 C 0.6401(6) 0.3312(2) 0.56923(15) 0.0770(11) Uani 1 1 d . . . . .
H13 H 0.5428 0.3198 0.5983 0.092 Uiso 1 1 calc R U . . .
C14 C 0.6064(4) 0.38113(17) 0.51850(12) 0.0489(6) Uani 1 1 d . . . . .
C15 C 0.4449(3) 0.46171(17) 0.45213(12) 0.0441(6) Uani 1 1 d . . . . .
C16 C 0.7518(3) 0.55556(13) 0.44892(10) 0.0324(4) Uani 1 1 d . . . . .
C17 C 0.7992(3) 0.56870(13) 0.51636(10) 0.0336(5) Uani 1 1 d . . . . .
C18 C 0.9535(4) 0.53834(14) 0.55066(11) 0.0402(5) Uani 1 1 d . . . . .
H18 H 1.0517 0.5069 0.5322 0.048 Uiso 1 1 calc R U . . .
C19 C 0.9568(5) 0.55635(17) 0.61361(12) 0.0514(7) Uani 1 1 d . . . . .
C20 C 0.8159(5) 0.60514(18) 0.64056(12) 0.0564(7) Uani 1 1 d . . . . .
H20 H 0.8237 0.6161 0.6830 0.068 Uiso 1 1 calc R U . . .
C21 C 0.6610(4) 0.63897(16) 0.60646(12) 0.0497(6) Uani 1 1 d . . . . .
C22 C 0.6567(4) 0.61915(13) 0.54341(11) 0.0381(5) Uani 1 1 d . . . . .
C23 C 0.5920(4) 0.62203(14) 0.43829(12) 0.0418(5) Uani 1 1 d . . . . .
C24 C 0.8970(3) 0.50123(14) 0.35581(10) 0.0356(5) Uani 1 1 d . . . . .
H24 H 0.9941 0.4575 0.3628 0.043 Uiso 1 1 calc R U . . .
C25 C 0.5168(6) 0.6944(2) 0.63980(17) 0.0810(11) Uani 1 1 d . . . . .
H25A H 0.5378 0.7509 0.6274 0.121 Uiso 1 1 calc R U . . .
H25B H 0.5354 0.6895 0.6839 0.121 Uiso 1 1 calc R U . . .
H25C H 0.3858 0.6782 0.6293 0.121 Uiso 1 1 calc R U . . .
C26 C 0.3647(4) 0.70358(18) 0.50186(17) 0.0662(9) Uani 1 1 d . . . . .
H26A H 0.4094 0.7551 0.5191 0.099 Uiso 1 1 calc R U . . .
H26B H 0.2675 0.6799 0.5288 0.099 Uiso 1 1 calc R U . . .
H26C H 0.3088 0.7133 0.4615 0.099 Uiso 1 1 calc R U . . .
C27 C 0.9355(5) 0.5413(2) 0.29334(12) 0.0567(7) 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
Cl1 C19 1.742(3) . ?
F1 C27 1.327(4) . ?
F2 C27 1.331(4) . ?
F3 C27 1.315(4) . ?
O1 C14 1.398(4) . ?
O1 C15 1.359(3) . ?
O2 C23 1.206(3) . ?
O3 C15 1.192(3) . ?
N1 C22 1.417(3) . ?
N1 C23 1.379(3) . ?
N1 C26 1.447(3) . ?
N2 H2 0.93(3) . ?
N2 C16 1.454(3) . ?
N2 C24 1.463(3) . ?
C1 H1 0.9800 . ?
C1 C2 1.520(3) . ?
C1 C8 1.549(3) . ?
C1 C24 1.537(3) . ?
C2 C3 1.377(4) . ?
C2 C7 1.392(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.368(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.367(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.393(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.505(3) . ?
C8 C15 1.524(3) . ?
C8 C16 1.606(3) . ?
C9 C10 1.383(4) . ?
C9 C14 1.371(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.366(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.387(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(4) . ?
C16 C17 1.501(3) . ?
C16 C23 1.548(3) . ?
C17 C18 1.377(3) . ?
C17 C22 1.397(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.384(3) . ?
C19 C20 1.373(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.399(4) . ?
C21 C22 1.393(3) . ?
C21 C25 1.512(4) . ?
C24 H24 0.9800 . ?
C24 C27 1.514(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

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
C15 O1 C14 107.55(19) . . ?
C22 N1 C26 128.2(2) . . ?
C23 N1 C22 110.89(19) . . ?
C23 N1 C26 120.4(2) . . ?
C16 N2 H2 114.1(18) . . ?
C16 N2 C24 110.76(18) . . ?
C24 N2 H2 110.2(17) . . ?
C2 C1 H1 107.0 . . ?
C2 C1 C8 115.64(18) . . ?
C2 C1 C24 117.8(2) . . ?
C8 C1 H1 107.0 . . ?
C24 C1 H1 107.0 . . ?
C24 C1 C8 101.79(17) . . ?
C3 C2 C1 123.6(2) . . ?
C3 C2 C7 118.0(2) . . ?
C7 C2 C1 118.4(2) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.7(3) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 120.9(3) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.1(3) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.6(3) . . ?
C7 C6 H6 119.7 . . ?
C2 C7 C6 120.7(3) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C1 C8 C16 99.86(16) . . ?
C9 C8 C1 121.17(18) . . ?
C9 C8 C15 100.74(19) . . ?
C9 C8 C16 110.95(16) . . ?
C15 C8 C1 112.94(18) . . ?
C15 C8 C16 111.50(18) . . ?
C10 C9 C8 133.8(2) . . ?
C14 C9 C8 107.2(2) . . ?
C14 C9 C10 118.6(2) . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.8(3) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.0(3) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121.4(3) . . ?
C13 C12 H12 119.3 . . ?
C12 C13 H13 121.9 . . ?
C14 C13 C12 116.2(3) . . ?
C14 C13 H13 121.9 . . ?
C9 C14 O1 112.5(2) . . ?
C9 C14 C13 124.0(3) . . ?
C13 C14 O1 123.5(3) . . ?
O1 C15 C8 110.0(2) . . ?
O3 C15 O1 121.4(2) . . ?
O3 C15 C8 128.5(2) . . ?
N2 C16 C8 103.75(17) . . ?
N2 C16 C17 116.46(18) . . ?
N2 C16 C23 112.69(18) . . ?
C17 C16 C8 114.21(17) . . ?
C17 C16 C23 101.36(18) . . ?
C23 C16 C8 108.43(17) . . ?
C18 C17 C16 129.2(2) . . ?
C18 C17 C22 121.2(2) . . ?
C22 C17 C16 109.5(2) . . ?
C17 C18 H18 121.3 . . ?
C17 C18 C19 117.5(2) . . ?
C19 C18 H18 121.3 . . ?
C18 C19 Cl1 118.5(2) . . ?
C20 C19 Cl1 120.0(2) . . ?
C20 C19 C18 121.4(3) . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.3(2) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 C25 118.4(3) . . ?
C22 C21 C20 115.9(2) . . ?
C22 C21 C25 125.7(3) . . ?
C17 C22 N1 108.7(2) . . ?
C21 C22 N1 129.6(2) . . ?
C21 C22 C17 121.6(2) . . ?
O2 C23 N1 125.7(2) . . ?
O2 C23 C16 127.1(2) . . ?
N1 C23 C16 107.07(19) . . ?
N2 C24 C1 105.77(18) . . ?
N2 C24 H24 109.0 . . ?
N2 C24 C27 110.0(2) . . ?
C1 C24 H24 109.0 . . ?
C27 C24 C1 113.9(2) . . ?
C27 C24 H24 109.0 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
F1 C27 F2 105.4(3) . . ?
F1 C27 C24 111.6(2) . . ?
F2 C27 C24 110.7(2) . . ?
F3 C27 F1 106.6(3) . . ?
F3 C27 F2 107.7(3) . . ?
F3 C27 C24 114.3(2) . . ?

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
Cl1 C19 C20 C21 -179.9(2) . . . . ?
N2 C16 C17 C18 -44.9(3) . . . . ?
N2 C16 C17 C22 135.6(2) . . . . ?
N2 C16 C23 O2 41.3(4) . . . . ?
N2 C16 C23 N1 -140.9(2) . . . . ?
N2 C24 C27 F1 57.9(3) . . . . ?
N2 C24 C27 F2 174.9(2) . . . . ?
N2 C24 C27 F3 -63.2(3) . . . . ?
C1 C2 C3 C4 -178.4(3) . . . . ?
C1 C2 C7 C6 178.6(2) . . . . ?
C1 C8 C9 C10 50.2(3) . . . . ?
C1 C8 C9 C14 -138.4(2) . . . . ?
C1 C8 C15 O1 144.33(19) . . . . ?
C1 C8 C15 O3 -35.2(4) . . . . ?
C1 C8 C16 N2 -35.42(19) . . . . ?
C1 C8 C16 C17 -163.23(18) . . . . ?
C1 C8 C16 C23 84.6(2) . . . . ?
C1 C24 C27 F1 176.4(2) . . . . ?
C1 C24 C27 F2 -66.5(3) . . . . ?
C1 C24 C27 F3 55.3(3) . . . . ?
C2 C1 C8 C9 48.2(3) . . . . ?
C2 C1 C8 C15 -71.3(3) . . . . ?
C2 C1 C8 C16 170.19(19) . . . . ?
C2 C1 C24 N2 -161.39(18) . . . . ?
C2 C1 C24 C27 77.7(3) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C3 C2 C7 C6 -0.1(4) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C4 C5 C6 C7 0.2(5) . . . . ?
C5 C6 C7 C2 -0.1(4) . . . . ?
C7 C2 C3 C4 0.2(4) . . . . ?
C8 C1 C2 C3 -82.2(3) . . . . ?
C8 C1 C2 C7 99.2(2) . . . . ?
C8 C1 C24 N2 -33.9(2) . . . . ?
C8 C1 C24 C27 -154.8(2) . . . . ?
C8 C9 C10 C11 170.0(2) . . . . ?
C8 C9 C14 O1 9.0(3) . . . . ?
C8 C9 C14 C13 -171.4(3) . . . . ?
C8 C16 C17 C18 76.1(3) . . . . ?
C8 C16 C17 C22 -103.4(2) . . . . ?
C8 C16 C23 O2 -73.0(3) . . . . ?
C8 C16 C23 N1 104.8(2) . . . . ?
C9 C8 C15 O1 13.6(2) . . . . ?
C9 C8 C15 O3 -166.0(3) . . . . ?
C9 C8 C16 N2 93.6(2) . . . . ?
C9 C8 C16 C17 -34.2(2) . . . . ?
C9 C8 C16 C23 -146.42(19) . . . . ?
C9 C10 C11 C12 -0.6(4) . . . . ?
C10 C9 C14 O1 -178.1(2) . . . . ?
C10 C9 C14 C13 1.5(4) . . . . ?
C10 C11 C12 C13 1.1(5) . . . . ?
C11 C12 C13 C14 -0.2(5) . . . . ?
C12 C13 C14 O1 178.5(3) . . . . ?
C12 C13 C14 C9 -1.1(5) . . . . ?
C14 O1 C15 O3 170.6(3) . . . . ?
C14 O1 C15 C8 -9.0(3) . . . . ?
C14 C9 C10 C11 -0.6(3) . . . . ?
C15 O1 C14 C9 0.0(3) . . . . ?
C15 O1 C14 C13 -179.6(3) . . . . ?
C15 C8 C9 C10 175.6(2) . . . . ?
C15 C8 C9 C14 -13.1(2) . . . . ?
C15 C8 C16 N2 -155.01(18) . . . . ?
C15 C8 C16 C17 77.2(2) . . . . ?
C15 C8 C16 C23 -35.0(2) . . . . ?
C16 N2 C24 C1 11.1(2) . . . . ?
C16 N2 C24 C27 134.5(2) . . . . ?
C16 C8 C9 C10 -66.3(3) . . . . ?
C16 C8 C9 C14 105.1(2) . . . . ?
C16 C8 C15 O1 -104.2(2) . . . . ?
C16 C8 C15 O3 76.3(3) . . . . ?
C16 C17 C18 C19 -176.4(2) . . . . ?
C16 C17 C22 N1 -5.8(3) . . . . ?
C16 C17 C22 C21 177.7(2) . . . . ?
C17 C16 C23 O2 166.5(3) . . . . ?
C17 C16 C23 N1 -15.7(2) . . . . ?
C17 C18 C19 Cl1 177.95(19) . . . . ?
C17 C18 C19 C20 -2.3(4) . . . . ?
C18 C17 C22 N1 174.6(2) . . . . ?
C18 C17 C22 C21 -1.9(4) . . . . ?
C18 C19 C20 C21 0.4(5) . . . . ?
C19 C20 C21 C22 0.9(4) . . . . ?
C19 C20 C21 C25 -177.9(3) . . . . ?
C20 C21 C22 N1 -175.8(2) . . . . ?
C20 C21 C22 C17 -0.1(4) . . . . ?
C22 N1 C23 O2 -168.8(3) . . . . ?
C22 N1 C23 C16 13.4(3) . . . . ?
C22 C17 C18 C19 3.1(4) . . . . ?
C23 N1 C22 C17 -5.1(3) . . . . ?
C23 N1 C22 C21 171.0(3) . . . . ?
C23 C16 C17 C18 -167.5(2) . . . . ?
C23 C16 C17 C22 12.9(2) . . . . ?
C24 N2 C16 C8 15.5(2) . . . . ?
C24 N2 C16 C17 141.95(19) . . . . ?
C24 N2 C16 C23 -101.5(2) . . . . ?
C24 C1 C2 C3 38.4(3) . . . . ?
C24 C1 C2 C7 -140.2(2) . . . . ?
C24 C1 C8 C9 -80.7(2) . . . . ?
C24 C1 C8 C15 159.83(19) . . . . ?
C24 C1 C8 C16 41.30(18) . . . . ?
C25 C21 C22 N1 2.8(5) . . . . ?
C25 C21 C22 C17 178.5(3) . . . . ?
C26 N1 C22 C17 -176.8(2) . . . . ?
C26 N1 C22 C21 -0.6(4) . . . . ?
C26 N1 C23 O2 3.6(4) . . . . ?
C26 N1 C23 C16 -174.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
