# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_abs
_database_code_depnum_ccdc_archive 'CCDC 2254629'
loop_
_audit_author_name
_audit_author_address
'Alireza Abbasi'
;Tehran Univesity
Iran
;
_audit_update_record             
;
2023-04-07 deposited with the CCDC.	2023-07-06 downloaded from the CCDC.
;
_audit_creation_date             2022-12-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H22 N2 O5'
_chemical_formula_sum            'C30 H22 N2 O5'
_chemical_formula_weight         490.49
_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'
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 '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                   11.679(2)
_cell_length_b                   15.814(3)
_cell_length_c                   13.357(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.12(3)
_cell_angle_gamma                90
_cell_volume                     2420.6(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14860
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.77
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14860
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.777
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3675
_reflns_number_total             4203
_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       'Automar software package (3.3a, 2015)'
_computing_data_collection       'MAR345 dtb Program (1.24-4, 2013)'
_computing_data_reduction        'Automar software package (3.3a, 2015)'
_computing_molecular_graphics    PLATON
_computing_publication_material  DIAMOND
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS 2013/1 (Sheldrick, 2013)'
_refine_diff_density_max         0.215
_refine_diff_density_min         -0.169
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4203
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.128
_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)+(0.0404P)²+1.0869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1262
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C33(H33)
2.b Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B)
2.c Aromatic/amide H refined with riding coordinates:
 C44(H44), C46(H46), C50(H50), C53(H53), C54(H54), C57(H57), C59(H59),
 C60(H60), C62(H62), C67(H67), C69(H69), C70(H70), C72(H72)
2.d Idealised Me refined as rotating group:
 C52(H52A,H52B,H52C), C74(H74A,H74B,H74C)
;
_atom_sites_solution_hydrogens   geom
_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
O1 O 0.85655(13) -0.00386(11) 0.68322(12) 0.0609(4) Uani 1 1 d . . . . .
N3 N 0.84091(14) -0.11921(11) 0.49650(12) 0.0444(4) Uani 1 1 d . . . . .
O4 O 0.47205(12) -0.07004(10) 0.58384(11) 0.0541(4) Uani 1 1 d . . . . .
N7 N 0.65826(14) -0.02624(11) 0.65373(12) 0.0471(4) Uani 1 1 d . . . . .
O8 O 0.58139(14) -0.31028(10) 0.28957(12) 0.0608(4) Uani 1 1 d . . . . .
O12 O 0.61436(14) -0.08124(12) 0.18564(13) 0.0679(5) Uani 1 1 d . . . . .
O13 O 0.74533(15) -0.27283(11) 0.24388(12) 0.0640(4) Uani 1 1 d . . . . .
C17 C 0.57594(17) -0.07357(12) 0.58531(15) 0.0428(4) Uani 1 1 d . . . . .
C18 C 0.76946(17) -0.03849(13) 0.63789(15) 0.0449(5) Uani 1 1 d . . . . .
C19 C 0.95999(17) -0.13389(13) 0.54275(15) 0.0452(5) Uani 1 1 d . . . . .
C21 C 0.64244(16) -0.12116(12) 0.52021(14) 0.0408(4) Uani 1 1 d . . . . .
C22 C 0.71996(19) -0.07596(13) 0.21386(16) 0.0495(5) Uani 1 1 d . . . . .
C24 C 0.61301(16) -0.18597(12) 0.44284(14) 0.0417(4) Uani 1 1 d . . . . .
C25 C 0.69160(17) -0.19658(13) 0.37987(14) 0.0436(5) Uani 1 1 d . . . . .
C26 C 0.79937(18) -0.08662(13) 0.14054(15) 0.0472(5) Uani 1 1 d . . . . .
C30 C 0.75633(16) -0.09820(12) 0.54864(14) 0.0416(4) Uani 1 1 d . . . . .
C33 C 0.79680(17) -0.13991(13) 0.38762(14) 0.0445(5) Uani 1 1 d . . . . .
H33 H 0.857780 -0.170742 0.361661 0.053 Uiso 1 1 calc R U . . .
C35 C 0.51744(17) -0.24627(13) 0.43489(16) 0.0475(5) Uani 1 1 d . . . . .
C36 C 0.67866(19) -0.26037(13) 0.30123(16) 0.0504(5) Uani 1 1 d . . . . .
C37 C 0.7691(2) -0.05798(13) 0.32517(15) 0.0516(5) Uani 1 1 d . . . . .
H37A H 0.713078 -0.024883 0.353565 0.062 Uiso 1 1 calc R U . . .
H37B H 0.839763 -0.024728 0.330457 0.062 Uiso 1 1 calc R U . . .
C41 C 0.50605(18) -0.30688(14) 0.35749(17) 0.0529(5) Uani 1 1 d . . . . .
C42 C 0.9439(2) -0.11041(15) -0.00218(18) 0.0607(6) Uani 1 1 d . . . . .
C44 C 1.1626(2) -0.13215(16) 0.5322(2) 0.0617(6) Uani 1 1 d . . . . .
H44 H 1.221417 -0.119559 0.496517 0.074 Uiso 1 1 calc R U . . .
C46 C 0.9869(2) -0.17170(16) 0.63719(17) 0.0583(6) Uani 1 1 d . . . . .
H46 H 0.928181 -0.185964 0.672246 0.070 Uiso 1 1 calc R U . . .
C50 C 1.04779(18) -0.11368(15) 0.49031(17) 0.0535(5) Uani 1 1 d . . . . .
H50 H 1.029351 -0.087634 0.426816 0.064 Uiso 1 1 calc R U . . .
C52 C 0.6278(2) 0.03352(17) 0.72680(19) 0.0655(7) Uani 1 1 d . . . . .
H52A H 0.544439 0.039078 0.716167 0.098 Uiso 1 1 calc R U . . .
H52B H 0.661874 0.087542 0.717771 0.098 Uiso 1 1 calc R U . . .
H52C H 0.656806 0.013469 0.794795 0.098 Uiso 1 1 calc R U . . .
C53 C 0.9196(2) -0.09035(16) 0.17068(17) 0.0611(6) Uani 1 1 d . . . . .
H53 H 0.953111 -0.084403 0.239352 0.073 Uiso 1 1 calc R U . . .
C54 C 0.7525(2) -0.09266(16) 0.03714(17) 0.0590(6) Uani 1 1 d . . . . .
H54 H 0.672155 -0.089527 0.014646 0.071 Uiso 1 1 calc R U . . .
C57 C 0.4412(2) -0.25255(16) 0.5036(2) 0.0652(7) Uani 1 1 d . . . . .
H57 H 0.446962 -0.214109 0.556991 0.078 Uiso 1 1 calc R U . . .
C59 C 1.1024(2) -0.18822(18) 0.67927(19) 0.0714(7) Uani 1 1 d . . . . .
H59 H 1.121356 -0.212463 0.743780 0.086 Uiso 1 1 calc R U . . .
C60 C 0.3481(2) -0.37257(18) 0.4139(3) 0.0871(9) Uani 1 1 d . . . . .
H60 H 0.290421 -0.413870 0.406472 0.104 Uiso 1 1 calc R U . . .
C62 C 0.9903(2) -0.10274(18) 0.1005(2) 0.0698(7) Uani 1 1 d . . . . .
H62 H 1.070704 -0.105984 0.122778 0.084 Uiso 1 1 calc R U . . .
C67 C 0.3578(2) -0.31509(18) 0.4927(3) 0.0855(9) Uani 1 1 d . . . . .
H67 H 0.307610 -0.318621 0.538827 0.103 Uiso 1 1 calc R U . . .
C69 C 0.8246(2) -0.10330(16) -0.03253(18) 0.0651(6) Uani 1 1 d . . . . .
H69 H 0.791881 -0.105739 -0.101691 0.078 Uiso 1 1 calc R U . . .
C70 C 1.1896(2) -0.16924(17) 0.6269(2) 0.0677(7) Uani 1 1 d . . . . .
H70 H 1.266818 -0.181507 0.655592 0.081 Uiso 1 1 calc R U . . .
C72 C 0.4225(2) -0.36948(16) 0.3466(2) 0.0706(7) Uani 1 1 d . . . . .
H72 H 0.416753 -0.408955 0.294213 0.085 Uiso 1 1 calc R U . . .
C74 C 1.0213(3) -0.1267(2) -0.0788(2) 0.0909(9) Uani 1 1 d . . . . .
H74A H 1.091011 -0.093308 -0.061479 0.136 Uiso 1 1 calc R U . . .
H74B H 0.980427 -0.111501 -0.145776 0.136 Uiso 1 1 calc R U . . .
H74C H 1.041670 -0.185526 -0.077714 0.136 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
O1 C18 1.210(2) . ?
N3 C19 1.428(3) . ?
N3 C30 1.355(2) . ?
N3 C33 1.483(2) . ?
O4 C17 1.211(2) . ?
N7 C17 1.407(3) . ?
N7 C18 1.369(3) . ?
N7 C52 1.451(3) . ?
O8 C36 1.367(3) . ?
O8 C41 1.381(3) . ?
O12 C22 1.221(3) . ?
O13 C36 1.209(2) . ?
C17 C21 1.479(3) . ?
C18 C30 1.505(3) . ?
C19 C46 1.376(3) . ?
C19 C50 1.386(3) . ?
C21 C24 1.449(3) . ?
C21 C30 1.360(3) . ?
C22 C26 1.482(3) . ?
C22 C37 1.514(3) . ?
C24 C25 1.370(3) . ?
C24 C35 1.456(3) . ?
C25 C33 1.508(3) . ?
C25 C36 1.443(3) . ?
C26 C53 1.386(3) . ?
C26 C54 1.387(3) . ?
C33 H33 0.9800 . ?
C33 C37 1.541(3) . ?
C35 C41 1.397(3) . ?
C35 C57 1.400(3) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C41 C72 1.378(3) . ?
C42 C62 1.380(3) . ?
C42 C69 1.379(4) . ?
C42 C74 1.512(3) . ?
C44 H44 0.9300 . ?
C44 C50 1.381(3) . ?
C44 C70 1.375(4) . ?
C46 H46 0.9300 . ?
C46 C59 1.382(3) . ?
C50 H50 0.9300 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53 0.9300 . ?
C53 C62 1.377(3) . ?
C54 H54 0.9300 . ?
C54 C69 1.380(3) . ?
C57 H57 0.9300 . ?
C57 C67 1.376(3) . ?
C59 H59 0.9300 . ?
C59 C70 1.375(3) . ?
C60 H60 0.9300 . ?
C60 C67 1.379(4) . ?
C60 C72 1.366(4) . ?
C62 H62 0.9300 . ?
C67 H67 0.9300 . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C72 H72 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 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
C19 N3 C33 120.91(16) . . ?
C30 N3 C19 124.28(16) . . ?
C30 N3 C33 114.11(16) . . ?
C17 N7 C52 123.87(17) . . ?
C18 N7 C17 111.96(16) . . ?
C18 N7 C52 123.99(18) . . ?
C36 O8 C41 121.54(16) . . ?
O4 C17 N7 122.88(18) . . ?
O4 C17 C21 130.71(19) . . ?
N7 C17 C21 106.38(16) . . ?
O1 C18 N7 126.12(19) . . ?
O1 C18 C30 128.89(18) . . ?
N7 C18 C30 104.85(16) . . ?
C46 C19 N3 119.91(18) . . ?
C46 C19 C50 120.2(2) . . ?
C50 C19 N3 119.85(19) . . ?
C24 C21 C17 134.44(17) . . ?
C30 C21 C17 107.23(17) . . ?
C30 C21 C24 118.20(17) . . ?
O12 C22 C26 120.77(19) . . ?
O12 C22 C37 119.00(19) . . ?
C26 C22 C37 120.23(19) . . ?
C21 C24 C35 126.03(17) . . ?
C25 C24 C21 115.45(17) . . ?
C25 C24 C35 118.03(18) . . ?
C24 C25 C33 121.24(17) . . ?
C24 C25 C36 122.97(19) . . ?
C36 C25 C33 115.77(17) . . ?
C53 C26 C22 122.76(19) . . ?
C53 C26 C54 118.0(2) . . ?
C54 C26 C22 119.3(2) . . ?
N3 C30 C18 126.00(17) . . ?
N3 C30 C21 124.16(18) . . ?
C21 C30 C18 109.47(16) . . ?
N3 C33 C25 108.83(15) . . ?
N3 C33 H33 108.5 . . ?
N3 C33 C37 110.02(16) . . ?
C25 C33 H33 108.5 . . ?
C25 C33 C37 112.28(17) . . ?
C37 C33 H33 108.5 . . ?
C41 C35 C24 117.74(19) . . ?
C41 C35 C57 117.03(19) . . ?
C57 C35 C24 125.04(19) . . ?
O8 C36 C25 117.03(19) . . ?
O13 C36 O8 117.13(19) . . ?
O13 C36 C25 125.8(2) . . ?
C22 C37 C33 111.96(17) . . ?
C22 C37 H37A 109.2 . . ?
C22 C37 H37B 109.2 . . ?
C33 C37 H37A 109.2 . . ?
C33 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
O8 C41 C35 122.07(18) . . ?
C72 C41 O8 115.5(2) . . ?
C72 C41 C35 122.4(2) . . ?
C62 C42 C74 121.1(2) . . ?
C69 C42 C62 117.8(2) . . ?
C69 C42 C74 121.1(2) . . ?
C50 C44 H44 120.2 . . ?
C70 C44 H44 120.2 . . ?
C70 C44 C50 119.7(2) . . ?
C19 C46 H46 120.4 . . ?
C19 C46 C59 119.2(2) . . ?
C59 C46 H46 120.4 . . ?
C19 C50 H50 119.9 . . ?
C44 C50 C19 120.1(2) . . ?
C44 C50 H50 119.9 . . ?
N7 C52 H52A 109.5 . . ?
N7 C52 H52B 109.5 . . ?
N7 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C26 C53 H53 119.5 . . ?
C62 C53 C26 121.0(2) . . ?
C62 C53 H53 119.5 . . ?
C26 C54 H54 119.8 . . ?
C69 C54 C26 120.3(2) . . ?
C69 C54 H54 119.8 . . ?
C35 C57 H57 119.7 . . ?
C67 C57 C35 120.6(2) . . ?
C67 C57 H57 119.7 . . ?
C46 C59 H59 119.6 . . ?
C70 C59 C46 120.8(2) . . ?
C70 C59 H59 119.6 . . ?
C67 C60 H60 119.7 . . ?
C72 C60 H60 119.7 . . ?
C72 C60 C67 120.7(2) . . ?
C42 C62 H62 119.4 . . ?
C53 C62 C42 121.1(2) . . ?
C53 C62 H62 119.4 . . ?
C57 C67 C60 120.4(3) . . ?
C57 C67 H67 119.8 . . ?
C60 C67 H67 119.8 . . ?
C42 C69 C54 121.7(2) . . ?
C42 C69 H69 119.2 . . ?
C54 C69 H69 119.2 . . ?
C44 C70 C59 120.0(2) . . ?
C44 C70 H70 120.0 . . ?
C59 C70 H70 120.0 . . ?
C41 C72 H72 120.6 . . ?
C60 C72 C41 118.9(2) . . ?
C60 C72 H72 120.6 . . ?
C42 C74 H74A 109.5 . . ?
C42 C74 H74B 109.5 . . ?
C42 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?

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
O1 C18 C30 N3 -5.7(4) . . . . ?
O1 C18 C30 C21 -178.9(2) . . . . ?
N3 C19 C46 C59 177.7(2) . . . . ?
N3 C19 C50 C44 -176.3(2) . . . . ?
N3 C33 C37 C22 -178.16(16) . . . . ?
O4 C17 C21 C24 -8.8(4) . . . . ?
O4 C17 C21 C30 175.5(2) . . . . ?
N7 C17 C21 C24 173.2(2) . . . . ?
N7 C17 C21 C30 -2.5(2) . . . . ?
N7 C18 C30 N3 170.16(19) . . . . ?
N7 C18 C30 C21 -3.0(2) . . . . ?
O8 C41 C72 C60 177.1(2) . . . . ?
O12 C22 C26 C53 -172.8(2) . . . . ?
O12 C22 C26 C54 7.7(3) . . . . ?
O12 C22 C37 C33 91.6(2) . . . . ?
C17 N7 C18 O1 177.5(2) . . . . ?
C17 N7 C18 C30 1.4(2) . . . . ?
C17 C21 C24 C25 161.9(2) . . . . ?
C17 C21 C24 C35 -26.2(3) . . . . ?
C17 C21 C30 N3 -169.99(18) . . . . ?
C17 C21 C30 C18 3.4(2) . . . . ?
C18 N7 C17 O4 -177.60(19) . . . . ?
C18 N7 C17 C21 0.5(2) . . . . ?
C19 N3 C30 C18 39.8(3) . . . . ?
C19 N3 C30 C21 -148.0(2) . . . . ?
C19 N3 C33 C25 126.23(19) . . . . ?
C19 N3 C33 C37 -110.4(2) . . . . ?
C19 C46 C59 C70 -1.6(4) . . . . ?
C21 C24 C25 C33 -3.9(3) . . . . ?
C21 C24 C25 C36 177.53(18) . . . . ?
C21 C24 C35 C41 -177.06(19) . . . . ?
C21 C24 C35 C57 -2.3(3) . . . . ?
C22 C26 C53 C62 178.1(2) . . . . ?
C22 C26 C54 C69 -179.5(2) . . . . ?
C24 C21 C30 N3 13.5(3) . . . . ?
C24 C21 C30 C18 -173.15(17) . . . . ?
C24 C25 C33 N3 36.6(3) . . . . ?
C24 C25 C33 C37 -85.4(2) . . . . ?
C24 C25 C36 O8 1.4(3) . . . . ?
C24 C25 C36 O13 -179.7(2) . . . . ?
C24 C35 C41 O8 -0.4(3) . . . . ?
C24 C35 C41 C72 176.6(2) . . . . ?
C24 C35 C57 C67 -176.1(2) . . . . ?
C25 C24 C35 C41 -5.4(3) . . . . ?
C25 C24 C35 C57 169.4(2) . . . . ?
C25 C33 C37 C22 -56.8(2) . . . . ?
C26 C22 C37 C33 -88.6(2) . . . . ?
C26 C53 C62 C42 1.1(4) . . . . ?
C26 C54 C69 C42 1.7(4) . . . . ?
C30 N3 C19 C46 35.3(3) . . . . ?
C30 N3 C19 C50 -147.8(2) . . . . ?
C30 N3 C33 C25 -44.5(2) . . . . ?
C30 N3 C33 C37 78.9(2) . . . . ?
C30 C21 C24 C25 -22.7(3) . . . . ?
C30 C21 C24 C35 149.1(2) . . . . ?
C33 N3 C19 C46 -134.5(2) . . . . ?
C33 N3 C19 C50 42.4(3) . . . . ?
C33 N3 C30 C18 -149.80(19) . . . . ?
C33 N3 C30 C21 22.5(3) . . . . ?
C33 C25 C36 O8 -177.25(18) . . . . ?
C33 C25 C36 O13 1.7(3) . . . . ?
C35 C24 C25 C33 -176.42(18) . . . . ?
C35 C24 C25 C36 5.0(3) . . . . ?
C35 C41 C72 C60 -0.1(4) . . . . ?
C35 C57 C67 C60 0.0(5) . . . . ?
C36 O8 C41 C35 7.2(3) . . . . ?
C36 O8 C41 C72 -170.0(2) . . . . ?
C36 C25 C33 N3 -144.71(18) . . . . ?
C36 C25 C33 C37 93.2(2) . . . . ?
C37 C22 C26 C53 7.4(3) . . . . ?
C37 C22 C26 C54 -172.1(2) . . . . ?
C41 O8 C36 O13 173.4(2) . . . . ?
C41 O8 C36 C25 -7.5(3) . . . . ?
C41 C35 C57 C67 -1.3(4) . . . . ?
C46 C19 C50 C44 0.6(3) . . . . ?
C46 C59 C70 C44 1.0(4) . . . . ?
C50 C19 C46 C59 0.8(3) . . . . ?
C50 C44 C70 C59 0.4(4) . . . . ?
C52 N7 C17 O4 -2.2(3) . . . . ?
C52 N7 C17 C21 175.9(2) . . . . ?
C52 N7 C18 O1 2.1(4) . . . . ?
C52 N7 C18 C30 -174.0(2) . . . . ?
C53 C26 C54 C69 0.9(3) . . . . ?
C54 C26 C53 C62 -2.3(4) . . . . ?
C57 C35 C41 O8 -175.7(2) . . . . ?
C57 C35 C41 C72 1.4(3) . . . . ?
C62 C42 C69 C54 -2.9(4) . . . . ?
C67 C60 C72 C41 -1.2(5) . . . . ?
C69 C42 C62 C53 1.5(4) . . . . ?
C70 C44 C50 C19 -1.2(4) . . . . ?
C72 C60 C67 C57 1.3(5) . . . . ?
C74 C42 C62 C53 -178.1(3) . . . . ?
C74 C42 C69 C54 176.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
