# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_mg_va2_296k_00
_database_code_depnum_ccdc_archive 'CCDC 2218131'
loop_
_audit_author_name
_audit_author_address
'Jonathan Cisterna'
;Universidad Catolica del Norte 
Chile
;
_audit_update_record             
;
2022-11-07 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2022-07-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H19 N3 O3'
_chemical_formula_sum            'C24 H19 N3 O3'
_chemical_formula_weight         397.42
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.669(6)
_cell_length_b                   10.856(7)
_cell_length_c                   11.092(7)
_cell_angle_alpha                95.470(16)
_cell_angle_beta                 97.788(14)
_cell_angle_gamma                106.365(14)
_cell_volume                     982.5(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4382
_cell_measurement_temperature    295.09
_cell_measurement_theta_max      26.331
_cell_measurement_theta_min      2.846
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.961
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6675
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0521 before and 0.0455 after correction.
The Ratio of minimum to maximum transmission is 0.8955.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             416
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 -2.00 -3.00 0.1190
1.00 -2.00 -3.00 0.1280
3.00 -2.00 -3.00 0.1360
1.00 0.00 0.00 0.1170
-1.00 0.00 0.00 0.0770
-2.00 2.00 3.00 0.1220
0.00 2.00 3.00 0.1100
2.00 2.00 3.00 0.1250
3.00 0.00 -1.00 0.0920
-3.00 0.00 1.00 0.0750
2.00 1.00 0.00 0.1080
-2.00 -2.00 -1.00 0.0940
-3.00 -2.00 0.00 0.0810
-3.00 1.00 3.00 0.1110
2.00 2.00 1.00 0.1230
0.00 3.00 2.00 0.1220
-2.00 0.00 3.00 0.1080
-1.00 -3.00 0.00 0.0940
-1.00 -3.00 1.00 0.1020
2.00 3.00 -3.00 0.1820
1.00 0.00 -2.00 0.1120
1.00 -3.00 0.00 0.1080
0.00 -1.00 2.00 0.1550
0.00 1.00 -2.00 0.1760
0.00 0.00 -1.00 0.1050
2.00 -3.00 0.00 0.1160
2.00 -3.00 3.00 0.1410

_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.269
_exptl_crystal_size_min          0.184
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14220
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.026
_diffrn_reflns_theta_min         2.846
_diffrn_ambient_temperature      295.09
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.981
_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           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2688
_reflns_number_total             4213
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.186
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       0.030(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4213
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0521
_refine_ls_restrained_S_all      1.021
_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)+(0.0549P)²+0.5151P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.1544
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B)
1.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18),
 C21(H21), C23(H23), C24(H24), C27(H27)
1.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
O20 O 0.2196(3) 0.4145(2) 0.58509(16) 0.0870(7) Uani 1 1 d . . . . .
O28 O 0.1961(2) 0.69149(19) -0.09439(16) 0.0766(5) Uani 1 1 d . . . . .
O30 O 0.3459(3) 0.5466(2) -0.06650(17) 0.0947(7) Uani 1 1 d . . . . .
N4 N 0.7893(2) 0.07902(18) 0.56932(16) 0.0532(5) Uani 1 1 d . . . . .
N5 N 0.6852(2) 0.06324(17) 0.65570(15) 0.0461(4) Uani 1 1 d . . . . .
N8 N 0.4524(2) 0.13685(17) 0.69413(15) 0.0468(4) Uani 1 1 d . . . . .
C1 C 0.5726(2) 0.12924(18) 0.63114(18) 0.0417(4) Uani 1 1 d . . . . .
C2 C 0.6052(2) 0.18715(19) 0.52536(18) 0.0443(5) Uani 1 1 d . . . . .
C3 C 0.7431(3) 0.1525(2) 0.4920(2) 0.0513(5) Uani 1 1 d . . . . .
C6 C 0.8310(3) 0.1888(3) 0.3870(2) 0.0746(8) Uani 1 1 d . . . . .
H6A H 0.925918 0.159364 0.393350 0.112 Uiso 1 1 calc R U . . .
H6B H 0.863365 0.281328 0.389670 0.112 Uiso 1 1 calc R U . . .
H6C H 0.759789 0.148964 0.310733 0.112 Uiso 1 1 calc R U . . .
C7 C 0.7138(3) -0.0087(2) 0.75300(19) 0.0475(5) Uani 1 1 d . . . . .
C9 C 0.3607(2) 0.2103(2) 0.65349(18) 0.0457(5) Uani 1 1 d . . . . .
C10 C 0.3854(2) 0.27726(19) 0.54836(17) 0.0432(5) Uani 1 1 d . . . . .
C11 C 0.5085(2) 0.26340(19) 0.48447(18) 0.0443(5) Uani 1 1 d . . . . .
H11 H 0.526119 0.304348 0.415477 0.053 Uiso 1 1 calc R U . . .
C12 C 0.8412(3) -0.0628(2) 0.7569(2) 0.0624(6) Uani 1 1 d . . . . .
H12 H 0.906403 -0.052131 0.696347 0.075 Uiso 1 1 calc R U . . .
C13 C 0.8717(4) -0.1328(3) 0.8509(2) 0.0746(8) Uani 1 1 d . . . . .
H13 H 0.957933 -0.168083 0.853429 0.089 Uiso 1 1 calc R U . . .
C14 C 0.7756(4) -0.1503(3) 0.9400(2) 0.0787(8) Uani 1 1 d . . . . .
H14 H 0.796057 -0.197441 1.002813 0.094 Uiso 1 1 calc R U . . .
C15 C 0.6488(4) -0.0974(3) 0.9357(3) 0.0907(10) Uani 1 1 d . . . . .
H15 H 0.583137 -0.109457 0.995887 0.109 Uiso 1 1 calc R U . . .
C16 C 0.6170(4) -0.0261(3) 0.8424(2) 0.0794(9) Uani 1 1 d . . . . .
H16 H 0.531034 0.009533 0.840573 0.095 Uiso 1 1 calc R U . . .
C17 C 0.2253(3) 0.2137(3) 0.7253(2) 0.0681(7) Uani 1 1 d . . . . .
H17A H 0.211341 0.146185 0.776523 0.102 Uiso 1 1 calc R U . . .
H17B H 0.125605 0.200642 0.669335 0.102 Uiso 1 1 calc R U . . .
H17C H 0.252961 0.296288 0.775757 0.102 Uiso 1 1 calc R U . . .
C18 C 0.2859(3) 0.4052(2) 0.38678(19) 0.0490(5) Uani 1 1 d . . . . .
H18 H 0.340280 0.370149 0.332373 0.059 Uiso 1 1 calc R U . . .
C19 C 0.2895(3) 0.3676(2) 0.51186(19) 0.0504(5) Uani 1 1 d . . . . .
C21 C 0.2067(3) 0.4882(2) 0.34982(19) 0.0474(5) Uani 1 1 d . . . . .
H21 H 0.148469 0.516461 0.405378 0.057 Uiso 1 1 calc R U . . .
C22 C 0.2007(2) 0.53978(19) 0.23261(18) 0.0442(5) Uani 1 1 d . . . . .
C23 C 0.1105(3) 0.6263(2) 0.2129(2) 0.0531(5) Uani 1 1 d . . . . .
H23 H 0.054597 0.647201 0.273821 0.064 Uiso 1 1 calc R U . . .
C24 C 0.1009(3) 0.6826(2) 0.1050(2) 0.0580(6) Uani 1 1 d . . . . .
H24 H 0.040148 0.740070 0.093137 0.070 Uiso 1 1 calc R U . . .
C25 C 0.1848(3) 0.6496(2) 0.0177(2) 0.0529(5) Uani 1 1 d . . . . .
C26 C 0.2744(3) 0.5631(2) 0.0358(2) 0.0562(6) Uani 1 1 d . . . . .
C27 C 0.2869(3) 0.5076(2) 0.1407(2) 0.0555(6) Uani 1 1 d . . . . .
H27 H 0.349147 0.451063 0.151273 0.067 Uiso 1 1 calc R U . . .
C29 C 0.2872(4) 0.6193(3) -0.1533(3) 0.0821(8) Uani 1 1 d . . . . .
H29A H 0.218113 0.561179 -0.224229 0.098 Uiso 1 1 calc R U . . .
H29B H 0.378205 0.677945 -0.180939 0.098 Uiso 1 1 calc R U . . .


_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
O20 C19 1.231(2) . ?
O28 C25 1.371(3) . ?
O28 C29 1.434(3) . ?
O30 C26 1.385(3) . ?
O30 C29 1.431(3) . ?
N4 N5 1.393(2) . ?
N4 C3 1.322(3) . ?
N5 C1 1.378(2) . ?
N5 C7 1.426(3) . ?
N8 C1 1.347(3) . ?
N8 C9 1.342(2) . ?
C1 C2 1.408(3) . ?
C2 C3 1.434(3) . ?
C2 C11 1.397(3) . ?
C3 C6 1.501(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C12 1.387(3) . ?
C7 C16 1.377(3) . ?
C9 C10 1.441(3) . ?
C9 C17 1.512(3) . ?
C10 C11 1.392(3) . ?
C10 C19 1.503(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.386(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.370(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.394(3) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C19 1.482(3) . ?
C18 C21 1.339(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.464(3) . ?
C22 C23 1.396(3) . ?
C22 C27 1.416(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.398(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.366(3) . ?
C25 C26 1.389(3) . ?
C26 C27 1.366(3) . ?
C27 H27 0.9300 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?

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
C25 O28 C29 105.67(18) . . ?
C26 O30 C29 105.88(19) . . ?
C3 N4 N5 107.48(16) . . ?
N4 N5 C7 118.44(16) . . ?
C1 N5 N4 109.97(16) . . ?
C1 N5 C7 131.52(17) . . ?
C9 N8 C1 116.04(17) . . ?
N5 C1 C2 106.83(17) . . ?
N8 C1 N5 127.37(18) . . ?
N8 C1 C2 125.79(18) . . ?
C1 C2 C3 105.45(17) . . ?
C11 C2 C1 117.29(18) . . ?
C11 C2 C3 137.18(19) . . ?
N4 C3 C2 110.27(18) . . ?
N4 C3 C6 121.2(2) . . ?
C2 C3 C6 128.5(2) . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 N5 119.18(19) . . ?
C16 C7 N5 121.32(19) . . ?
C16 C7 C12 119.5(2) . . ?
N8 C9 C10 123.16(18) . . ?
N8 C9 C17 114.14(17) . . ?
C10 C9 C17 122.67(18) . . ?
C9 C10 C19 121.60(17) . . ?
C11 C10 C9 118.53(17) . . ?
C11 C10 C19 119.75(17) . . ?
C2 C11 H11 120.4 . . ?
C10 C11 C2 119.13(18) . . ?
C10 C11 H11 120.4 . . ?
C7 C12 H12 119.9 . . ?
C13 C12 C7 120.2(2) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.5(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.3(2) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.0(3) . . ?
C16 C15 H15 119.5 . . ?
C7 C16 C15 119.5(2) . . ?
C7 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 H18 119.1 . . ?
C21 C18 H18 119.1 . . ?
C21 C18 C19 121.90(19) . . ?
O20 C19 C10 121.36(19) . . ?
O20 C19 C18 119.61(19) . . ?
C18 C19 C10 118.97(17) . . ?
C18 C21 H21 116.0 . . ?
C18 C21 C22 127.91(19) . . ?
C22 C21 H21 116.0 . . ?
C23 C22 C21 118.58(18) . . ?
C23 C22 C27 119.25(19) . . ?
C27 C22 C21 122.15(18) . . ?
C22 C23 H23 118.7 . . ?
C22 C23 C24 122.5(2) . . ?
C24 C23 H23 118.7 . . ?
C23 C24 H24 121.5 . . ?
C25 C24 C23 117.0(2) . . ?
C25 C24 H24 121.5 . . ?
O28 C25 C26 110.5(2) . . ?
C24 C25 O28 128.4(2) . . ?
C24 C25 C26 121.2(2) . . ?
O30 C26 C25 109.16(19) . . ?
C27 C26 O30 127.8(2) . . ?
C27 C26 C25 123.0(2) . . ?
C22 C27 H27 121.5 . . ?
C26 C27 C22 117.08(19) . . ?
C26 C27 H27 121.5 . . ?
O28 C29 H29A 110.0 . . ?
O28 C29 H29B 110.0 . . ?
O30 C29 O28 108.3(2) . . ?
O30 C29 H29A 110.0 . . ?
O30 C29 H29B 110.0 . . ?
H29A C29 H29B 108.4 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C16 H16 N8 0.93 2.38 3.035(3) 127.1 . yes
C29 H29A O20 0.97 2.53 3.359(4) 143.8 1_554 yes

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
O28 C25 C26 O30 -0.4(3) . . . . ?
O28 C25 C26 C27 178.9(2) . . . . ?
O30 C26 C27 C22 -179.7(2) . . . . ?
N4 N5 C1 N8 179.99(19) . . . . ?
N4 N5 C1 C2 0.7(2) . . . . ?
N4 N5 C7 C12 -1.5(3) . . . . ?
N4 N5 C7 C16 179.0(2) . . . . ?
N5 N4 C3 C2 -0.3(2) . . . . ?
N5 N4 C3 C6 179.8(2) . . . . ?
N5 C1 C2 C3 -0.8(2) . . . . ?
N5 C1 C2 C11 -178.11(17) . . . . ?
N5 C7 C12 C13 179.8(2) . . . . ?
N5 C7 C16 C15 179.8(3) . . . . ?
N8 C1 C2 C3 179.9(2) . . . . ?
N8 C1 C2 C11 2.6(3) . . . . ?
N8 C9 C10 C11 1.1(3) . . . . ?
N8 C9 C10 C19 -174.81(19) . . . . ?
C1 N5 C7 C12 -178.0(2) . . . . ?
C1 N5 C7 C16 2.4(4) . . . . ?
C1 N8 C9 C10 0.6(3) . . . . ?
C1 N8 C9 C17 178.8(2) . . . . ?
C1 C2 C3 N4 0.7(2) . . . . ?
C1 C2 C3 C6 -179.4(2) . . . . ?
C1 C2 C11 C10 -0.6(3) . . . . ?
C3 N4 N5 C1 -0.3(2) . . . . ?
C3 N4 N5 C7 -177.54(19) . . . . ?
C3 C2 C11 C10 -176.8(2) . . . . ?
C7 N5 C1 N8 -3.2(4) . . . . ?
C7 N5 C1 C2 177.5(2) . . . . ?
C7 C12 C13 C14 0.6(4) . . . . ?
C9 N8 C1 N5 178.3(2) . . . . ?
C9 N8 C1 C2 -2.5(3) . . . . ?
C9 C10 C11 C2 -1.0(3) . . . . ?
C9 C10 C19 O20 19.4(3) . . . . ?
C9 C10 C19 C18 -163.4(2) . . . . ?
C11 C2 C3 N4 177.1(2) . . . . ?
C11 C2 C3 C6 -2.9(4) . . . . ?
C11 C10 C19 O20 -156.4(2) . . . . ?
C11 C10 C19 C18 20.7(3) . . . . ?
C12 C7 C16 C15 0.2(4) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C13 C14 C15 C16 -0.2(5) . . . . ?
C14 C15 C16 C7 0.2(5) . . . . ?
C16 C7 C12 C13 -0.6(4) . . . . ?
C17 C9 C10 C11 -176.9(2) . . . . ?
C17 C9 C10 C19 7.1(3) . . . . ?
C18 C21 C22 C23 -179.8(2) . . . . ?
C18 C21 C22 C27 -1.6(4) . . . . ?
C19 C10 C11 C2 175.00(19) . . . . ?
C19 C18 C21 C22 176.1(2) . . . . ?
C21 C18 C19 O20 -0.9(4) . . . . ?
C21 C18 C19 C10 -178.0(2) . . . . ?
C21 C22 C23 C24 178.5(2) . . . . ?
C21 C22 C27 C26 -178.9(2) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C22 C27 C26 -0.7(3) . . . . ?
C23 C24 C25 O28 -179.5(2) . . . . ?
C23 C24 C25 C26 0.4(4) . . . . ?
C24 C25 C26 O30 179.7(2) . . . . ?
C24 C25 C26 C27 -1.0(4) . . . . ?
C25 O28 C29 O30 -7.2(3) . . . . ?
C25 C26 C27 C22 1.1(4) . . . . ?
C26 O30 C29 O28 7.0(3) . . . . ?
C27 C22 C23 C24 0.3(3) . . . . ?
C29 O28 C25 C24 -175.4(3) . . . . ?
C29 O28 C25 C26 4.7(3) . . . . ?
C29 O30 C26 C25 -4.1(3) . . . . ?
C29 O30 C26 C27 176.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
