# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
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data_yamanomoto_ind_ala_maj_sy309_data01_a
_database_code_depnum_ccdc_archive 'CCDC 2286593'
loop_
_audit_author_name
_audit_author_address
'Ken Yamanomoto'
;Tokyo university of science
Japan
;
_audit_update_record             
;
2023-08-03 deposited with the CCDC.	2023-12-06 downloaded from the CCDC.
;
_audit_creation_date             2023-03-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C27 H23 N3 O), C H2 Cl2'
_chemical_formula_sum            'C55 H48 Cl2 N6 O2'
_chemical_formula_weight         895.89
_chemical_absolute_configuration ad
_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 0.0058 0.0028 '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 0.2092 0.2541 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0108 0.0056 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0182 0.0102 '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           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.0150(13)
_cell_length_b                   17.560(2)
_cell_length_c                   7.712(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2304.2(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    13164
_cell_measurement_temperature    95.15
_cell_measurement_theta_max      32.822
_cell_measurement_theta_min      2.110
_shelx_estimated_absorpt_T_max   0.996
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.354
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XDS (Kabsch, 2010)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            29161
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        32.684
_diffrn_reflns_theta_max         32.822
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_temperature      95.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'PAD EIGER X 16M(Dectris)'
_diffrn_measurement_method       'oscillation method, ω scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.900
_diffrn_source                   'KEK PF BL17A beamline'
_reflns_Friedel_coverage         0.741
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                4044
_reflns_number_total             4204
_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       'XDS (Kabsch, 2010)'
_computing_data_collection       'KEK UGUIS'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.139
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 
;
 Flack x determined using 1693 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4204
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0347
_refine_ls_restrained_S_all      1.067
_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)+(0.0584P)²+0.4760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.0936
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H28A(0.5) H28B(0.5)
3.a Ternary CH refined with riding coordinates:
 C24(H24)
3.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B)
3.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C23(H23), C8(H8), C17(H17), C14(H14), C4(H4), C13(H13), C15(H15),
 C11(H11), C1(H1), C16(H16), C2(H2), C10(H10), C3(H3A), C12(H12)
3.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.57882(4) -0.03446(4) 0.38630(10) 0.0489(2) Uani 1 1 d . . . . .
O1 O 0.71917(10) 0.43476(10) 0.7556(2) 0.0324(4) Uani 1 1 d . . . . .
N2 N 0.47915(11) 0.40787(11) 0.4206(3) 0.0261(4) Uani 1 1 d . . . . .
N3 N 0.60673(11) 0.45753(11) 0.6078(3) 0.0265(4) Uani 1 1 d . . . . .
H3 H 0.5789(16) 0.4918(17) 0.546(4) 0.032 Uiso 1 1 d . U . . .
N1 N 0.57206(11) 0.22588(10) 0.5380(3) 0.0266(4) Uani 1 1 d . . . . .
C21 C 0.52210(13) 0.35654(12) 0.5010(3) 0.0250(5) Uani 1 1 d . . . . .
C19 C 0.43164(13) 0.38548(13) 0.2860(3) 0.0258(5) Uani 1 1 d . . . . .
C18 C 0.38983(13) 0.44167(14) 0.1934(3) 0.0282(5) Uani 1 1 d . . . . .
H18 H 0.395841 0.493837 0.223236 0.034 Uiso 1 1 calc R U . . .
C23 C 0.46982(13) 0.25405(13) 0.3284(3) 0.0280(5) Uani 1 1 d . . . . .
H23 H 0.466246 0.201486 0.300377 0.034 Uiso 1 1 calc R U . . .
C8 C 0.68708(13) 0.18350(13) 0.6445(3) 0.0285(5) Uani 1 1 d . . . . .
H8 H 0.741663 0.174249 0.659491 0.034 Uiso 1 1 calc R U . . .
C9 C 0.69008(13) 0.27260(13) 0.3782(3) 0.0282(5) Uani 1 1 d . . . . .
C20 C 0.42324(13) 0.30786(13) 0.2389(3) 0.0265(5) Uani 1 1 d . . . . .
C17 C 0.34062(14) 0.42141(14) 0.0607(3) 0.0297(5) Uani 1 1 d . . . . .
H17 H 0.312629 0.459606 -0.000876 0.036 Uiso 1 1 calc R U . . .
C14 C 0.74906(13) 0.32537(13) 0.4201(3) 0.0306(5) Uani 1 1 d . . . . .
H14 H 0.767975 0.328743 0.535767 0.037 Uiso 1 1 calc R U . . .
C6 C 0.62563(14) 0.15433(13) 0.7511(3) 0.0293(5) Uani 1 1 d . . . . .
C5 C 0.55444(14) 0.18333(13) 0.6842(3) 0.0280(5) Uani 1 1 d . . . . .
C26 C 0.67956(14) 0.47649(13) 0.6635(3) 0.0281(5) Uani 1 1 d . . . . .
C7 C 0.65427(14) 0.22678(13) 0.5177(3) 0.0280(5) Uani 1 1 d . . . . .
C22 C 0.51979(13) 0.27790(12) 0.4550(3) 0.0253(5) Uani 1 1 d . . . . .
C4 C 0.48153(14) 0.16886(13) 0.7604(4) 0.0310(5) Uani 1 1 d . . . . .
H4 H 0.434453 0.189997 0.714917 0.037 Uiso 1 1 calc R U . . .
C24 C 0.57190(13) 0.38413(13) 0.6520(3) 0.0262(5) Uani 1 1 d . . . . .
H24 H 0.615333 0.346692 0.670999 0.031 Uiso 1 1 calc R U . . .
C13 C 0.77964(14) 0.37241(15) 0.2933(3) 0.0332(6) Uani 1 1 d . . . . .
H13 H 0.818913 0.408604 0.322912 0.040 Uiso 1 1 calc R U . . .
C25 C 0.52290(15) 0.38876(14) 0.8180(3) 0.0321(5) Uani 1 1 d . . . . .
H25A H 0.555820 0.407454 0.913235 0.048 Uiso 1 1 calc R U . . .
H25B H 0.502753 0.338052 0.847045 0.048 Uiso 1 1 calc R U . . .
H25C H 0.478755 0.423735 0.800200 0.048 Uiso 1 1 calc R U . . .
C15 C 0.37130(14) 0.28840(14) 0.1018(3) 0.0307(5) Uani 1 1 d . . . . .
H15 H 0.364417 0.236505 0.070552 0.037 Uiso 1 1 calc R U . . .
C11 C 0.69658(15) 0.31366(16) 0.0801(3) 0.0350(6) Uani 1 1 d . . . . .
H11 H 0.679196 0.309245 -0.036544 0.042 Uiso 1 1 calc R U . . .
C1 C 0.62238(15) 0.10636(14) 0.8976(4) 0.0333(5) Uani 1 1 d . . . . .
H1 H 0.669115 0.084975 0.944170 0.040 Uiso 1 1 calc R U . . .
C16 C 0.33115(14) 0.34378(15) 0.0147(3) 0.0310(5) Uani 1 1 d . . . . .
H16 H 0.296707 0.330236 -0.077171 0.037 Uiso 1 1 calc R U . . .
C2 C 0.55048(16) 0.09086(14) 0.9724(4) 0.0352(6) Uani 1 1 d . . . . .
H2 H 0.547971 0.058397 1.070767 0.042 Uiso 1 1 calc R U . . .
C10 C 0.66535(14) 0.26695(14) 0.2064(3) 0.0319(5) Uani 1 1 d . . . . .
H10 H 0.626501 0.230474 0.175928 0.038 Uiso 1 1 calc R U . . .
C3 C 0.48094(15) 0.12230(14) 0.9054(4) 0.0347(6) Uani 1 1 d . . . . .
H3A H 0.432361 0.111386 0.960747 0.042 Uiso 1 1 calc R U . . .
C12 C 0.75369(14) 0.36738(15) 0.1237(3) 0.0345(6) Uani 1 1 d . . . . .
H12 H 0.774610 0.400277 0.037485 0.041 Uiso 1 1 calc R U . . .
C27 C 0.71019(15) 0.55192(14) 0.6009(4) 0.0347(6) Uani 1 1 d . . . . .
H27A H 0.753163 0.568730 0.676380 0.052 Uiso 1 1 calc R U . . .
H27B H 0.667763 0.589643 0.603625 0.052 Uiso 1 1 calc R U . . .
H27C H 0.729626 0.546573 0.481908 0.052 Uiso 1 1 calc R U . . .
C28 C 0.500000 0.000000 0.5137(6) 0.0460(10) Uani 1 2 d S T P . .
H28A H 0.519339 0.041530 0.589269 0.055 Uiso 0.5 1 calc R U P . .
H28B H 0.480660 -0.041532 0.589264 0.055 Uiso 0.5 1 calc R U P . .


_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 C28 1.769(3) . ?
O1 C26 1.223(3) . ?
N2 C21 1.316(3) . ?
N2 C19 1.373(3) . ?
N3 H3 0.90(3) . ?
N3 C26 1.353(3) . ?
N3 C24 1.459(3) . ?
N1 C5 1.385(3) . ?
N1 C7 1.408(3) . ?
N1 C22 1.426(3) . ?
C21 C22 1.426(3) . ?
C21 C24 1.519(3) . ?
C19 C18 1.411(3) . ?
C19 C20 1.418(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.369(4) . ?
C23 H23 0.9500 . ?
C23 C20 1.413(3) . ?
C23 C22 1.361(3) . ?
C8 H8 0.9500 . ?
C8 C6 1.426(3) . ?
C8 C7 1.358(3) . ?
C9 C14 1.404(3) . ?
C9 C7 1.475(4) . ?
C9 C10 1.393(4) . ?
C20 C15 1.419(3) . ?
C17 H17 0.9500 . ?
C17 C16 1.418(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.382(4) . ?
C6 C5 1.412(3) . ?
C6 C1 1.410(4) . ?
C5 C4 1.396(3) . ?
C26 C27 1.503(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.385(4) . ?
C24 H24 1.0000 . ?
C24 C25 1.530(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.383(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C16 1.365(3) . ?
C11 H11 0.9500 . ?
C11 C10 1.380(4) . ?
C11 C12 1.395(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.380(4) . ?
C16 H16 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.404(4) . ?
C10 H10 0.9500 . ?
C3 H3A 0.9500 . ?
C12 H12 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?

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
C21 N2 C19 119.15(19) . . ?
C26 N3 H3 119.0(18) . . ?
C26 N3 C24 121.0(2) . . ?
C24 N3 H3 120.0(18) . . ?
C5 N1 C7 108.1(2) . . ?
C5 N1 C22 125.1(2) . . ?
C7 N1 C22 124.24(19) . . ?
N2 C21 C22 122.1(2) . . ?
N2 C21 C24 116.90(19) . . ?
C22 C21 C24 121.0(2) . . ?
N2 C19 C18 118.6(2) . . ?
N2 C19 C20 121.9(2) . . ?
C18 C19 C20 119.5(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 C19 120.3(2) . . ?
C17 C18 H18 119.8 . . ?
C20 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C20 119.7(2) . . ?
C6 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
C7 C8 C6 108.4(2) . . ?
C14 C9 C7 119.2(2) . . ?
C10 C9 C14 118.8(2) . . ?
C10 C9 C7 122.0(2) . . ?
C19 C20 C15 119.0(2) . . ?
C23 C20 C19 117.4(2) . . ?
C23 C20 C15 123.5(2) . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(2) . . ?
C16 C17 H17 119.8 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.0(2) . . ?
C13 C14 H14 120.0 . . ?
C5 C6 C8 106.8(2) . . ?
C1 C6 C8 134.9(2) . . ?
C1 C6 C5 118.3(2) . . ?
N1 C5 C6 107.9(2) . . ?
N1 C5 C4 129.3(2) . . ?
C4 C5 C6 122.9(2) . . ?
O1 C26 N3 122.8(2) . . ?
O1 C26 C27 121.6(2) . . ?
N3 C26 C27 115.6(2) . . ?
N1 C7 C9 119.8(2) . . ?
C8 C7 N1 108.8(2) . . ?
C8 C7 C9 131.3(2) . . ?
C21 C22 N1 119.4(2) . . ?
C23 C22 N1 121.0(2) . . ?
C23 C22 C21 119.6(2) . . ?
C5 C4 H4 121.5 . . ?
C3 C4 C5 117.0(2) . . ?
C3 C4 H4 121.5 . . ?
N3 C24 C21 109.23(19) . . ?
N3 C24 H24 108.4 . . ?
N3 C24 C25 111.71(19) . . ?
C21 C24 H24 108.4 . . ?
C21 C24 C25 110.76(19) . . ?
C25 C24 H24 108.4 . . ?
C14 C13 H13 119.6 . . ?
C14 C13 C12 120.7(2) . . ?
C12 C13 H13 119.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C15 H15 119.8 . . ?
C16 C15 C20 120.4(2) . . ?
C16 C15 H15 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C6 C1 H1 120.4 . . ?
C2 C1 C6 119.2(2) . . ?
C2 C1 H1 120.4 . . ?
C17 C16 H16 119.8 . . ?
C15 C16 C17 120.3(2) . . ?
C15 C16 H16 119.8 . . ?
C1 C2 H2 119.5 . . ?
C1 C2 C3 121.0(2) . . ?
C3 C2 H2 119.5 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(2) . . ?
C11 C10 H10 119.6 . . ?
C4 C3 C2 121.5(2) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C13 C12 C11 119.6(2) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Cl1 C28 Cl1 112.5(2) . 2_655 ?
Cl1 C28 H28A 109.1 . . ?
Cl1 C28 H28A 109.1 2_655 . ?
Cl1 C28 H28B 109.1 . . ?
Cl1 C28 H28B 109.1 2_655 . ?
H28A C28 H28B 107.8 . . ?

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
N2 C21 C22 N1 175.3(2) . . . . ?
N2 C21 C22 C23 -2.4(4) . . . . ?
N2 C21 C24 N3 -40.7(3) . . . . ?
N2 C21 C24 C25 82.8(3) . . . . ?
N2 C19 C18 C17 -178.6(2) . . . . ?
N2 C19 C20 C23 -4.1(3) . . . . ?
N2 C19 C20 C15 178.1(2) . . . . ?
N1 C5 C4 C3 178.5(2) . . . . ?
C21 N2 C19 C18 -175.9(2) . . . . ?
C21 N2 C19 C20 4.5(3) . . . . ?
C19 N2 C21 C22 -1.2(3) . . . . ?
C19 N2 C21 C24 -178.43(19) . . . . ?
C19 C18 C17 C16 -0.1(4) . . . . ?
C19 C20 C15 C16 1.2(3) . . . . ?
C18 C19 C20 C23 176.3(2) . . . . ?
C18 C19 C20 C15 -1.5(3) . . . . ?
C18 C17 C16 C15 -0.3(4) . . . . ?
C23 C20 C15 C16 -176.5(2) . . . . ?
C8 C6 C5 N1 2.4(2) . . . . ?
C8 C6 C5 C4 -177.6(2) . . . . ?
C8 C6 C1 C2 178.6(3) . . . . ?
C9 C14 C13 C12 -1.1(4) . . . . ?
C20 C19 C18 C17 1.0(3) . . . . ?
C20 C23 C22 N1 -174.9(2) . . . . ?
C20 C23 C22 C21 2.7(3) . . . . ?
C20 C15 C16 C17 -0.3(4) . . . . ?
C14 C9 C7 N1 126.4(2) . . . . ?
C14 C9 C7 C8 -51.1(4) . . . . ?
C14 C9 C10 C11 -1.7(3) . . . . ?
C14 C13 C12 C11 -0.6(4) . . . . ?
C6 C8 C7 N1 -0.7(3) . . . . ?
C6 C8 C7 C9 177.0(2) . . . . ?
C6 C5 C4 C3 -1.6(4) . . . . ?
C6 C1 C2 C3 -0.3(4) . . . . ?
C5 N1 C7 C8 2.2(3) . . . . ?
C5 N1 C7 C9 -175.8(2) . . . . ?
C5 N1 C22 C21 93.4(3) . . . . ?
C5 N1 C22 C23 -88.9(3) . . . . ?
C5 C6 C1 C2 -1.4(3) . . . . ?
C5 C4 C3 C2 -0.2(4) . . . . ?
C26 N3 C24 C21 -145.0(2) . . . . ?
C26 N3 C24 C25 92.1(3) . . . . ?
C7 N1 C5 C6 -2.8(2) . . . . ?
C7 N1 C5 C4 177.1(2) . . . . ?
C7 N1 C22 C21 -66.5(3) . . . . ?
C7 N1 C22 C23 111.1(3) . . . . ?
C7 C8 C6 C5 -1.1(3) . . . . ?
C7 C8 C6 C1 178.9(3) . . . . ?
C7 C9 C14 C13 -175.7(2) . . . . ?
C7 C9 C10 C11 176.1(2) . . . . ?
C22 N1 C5 C6 -165.5(2) . . . . ?
C22 N1 C5 C4 14.5(4) . . . . ?
C22 N1 C7 C8 165.0(2) . . . . ?
C22 N1 C7 C9 -13.0(3) . . . . ?
C22 C21 C24 N3 142.1(2) . . . . ?
C22 C21 C24 C25 -94.5(3) . . . . ?
C22 C23 C20 C19 0.4(3) . . . . ?
C22 C23 C20 C15 178.1(2) . . . . ?
C24 N3 C26 O1 -1.6(4) . . . . ?
C24 N3 C26 C27 176.8(2) . . . . ?
C24 C21 C22 N1 -7.6(3) . . . . ?
C24 C21 C22 C23 174.7(2) . . . . ?
C1 C6 C5 N1 -177.6(2) . . . . ?
C1 C6 C5 C4 2.5(3) . . . . ?
C1 C2 C3 C4 1.1(4) . . . . ?
C10 C9 C14 C13 2.2(3) . . . . ?
C10 C9 C7 N1 -51.4(3) . . . . ?
C10 C9 C7 C8 131.1(3) . . . . ?
C10 C11 C12 C13 1.2(4) . . . . ?
C12 C11 C10 C9 0.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'


