# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_20210813c
_database_code_depnum_ccdc_archive 'CCDC 2107204'
loop_
_audit_author_name
_audit_author_address
'shuguang chen'
;anhui normal university
China
;
_audit_update_record             
;
2021-09-02 deposited with the CCDC.	2022-04-07 downloaded from the CCDC.
;
_audit_creation_date             2021-08-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H26 N2 O2'
_chemical_formula_sum            'C26 H26 N2 O2'
_chemical_formula_weight         398.49
_chemical_absolute_configuration unk
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   6.1633(4)
_cell_length_b                   18.0475(11)
_cell_length_c                   19.7364(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2195.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      73.788
_cell_measurement_theta_min      3.318
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.884
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.6701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1412 before and 0.0522 after correction.
The Ratio of minimum to maximum transmission is 0.8890.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0130
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            69195
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.741
_diffrn_reflns_theta_min         3.318
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                4196
_reflns_number_total             4505
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         0.153
_refine_diff_density_min         -0.126
_refine_diff_density_rms         0.026
_refine_ls_abs_structure_details 
;
 Flack x determined using 1682 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_extinction_coef       0.0021(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   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0348
_refine_ls_restrained_S_all      1.072
_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)+(0.0619P)²+0.1099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1041
_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:
 C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C17(H17), C18(H18), C20(H20),
 C21(H21), C23(H23), C25(H25)
2.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
;
_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
O1 O 0.8112(4) 0.40120(11) 0.44132(10) 0.1227(8) Uani 1 1 d . . . . .
O2 O -0.1702(3) 0.96411(9) 0.27245(10) 0.0969(5) Uani 1 1 d . . . . .
N1 N 0.7636(2) 0.67401(8) 0.28218(7) 0.0561(3) Uani 1 1 d . . . . .
N2 N 0.6315(3) 0.53791(8) 0.39404(8) 0.0659(4) Uani 1 1 d . . . . .
C1 C 0.7454(3) 0.69018(9) 0.21438(9) 0.0571(4) Uani 1 1 d . . . . .
C2 C 0.9153(4) 0.72877(11) 0.18268(11) 0.0739(5) Uani 1 1 d . . . . .
H2 H 1.036688 0.742759 0.207599 0.089 Uiso 1 1 calc R U . . .
C3 C 0.9028(5) 0.74593(12) 0.11484(12) 0.0911(8) Uani 1 1 d . . . . .
H3 H 1.014954 0.772065 0.094295 0.109 Uiso 1 1 calc R U . . .
C4 C 0.7235(6) 0.72447(14) 0.07681(12) 0.0989(9) Uani 1 1 d . . . . .
H4 H 0.717430 0.736348 0.031000 0.119 Uiso 1 1 calc R U . . .
C5 C 0.5575(5) 0.68645(13) 0.10558(11) 0.0897(7) Uani 1 1 d . . . . .
H5 H 0.439006 0.672267 0.079430 0.108 Uiso 1 1 calc R U . . .
C6 C 0.5642(3) 0.66835(10) 0.17530(9) 0.0642(4) Uani 1 1 d . . . . .
C7 C 0.4008(3) 0.62782(11) 0.20826(11) 0.0710(5) Uani 1 1 d . . . . .
H7 H 0.279395 0.611948 0.184315 0.085 Uiso 1 1 calc R U . . .
C8 C 0.4206(3) 0.61193(10) 0.27510(10) 0.0635(4) Uani 1 1 d . . . . .
H8 H 0.313257 0.585027 0.297283 0.076 Uiso 1 1 calc R U . . .
C9 C 0.6058(3) 0.63661(8) 0.31078(8) 0.0522(4) Uani 1 1 d . . . . .
C10 C 0.6270(3) 0.61908(10) 0.38567(8) 0.0583(4) Uani 1 1 d . . . . .
H10 H 0.764637 0.639466 0.402149 0.070 Uiso 1 1 calc R U . . .
C11 C 0.8353(5) 0.50823(17) 0.36862(15) 0.1101(10) Uani 1 1 d . . . . .
H11A H 0.954873 0.529058 0.394282 0.132 Uiso 1 1 calc R U . . .
H11B H 0.853547 0.522398 0.321553 0.132 Uiso 1 1 calc R U . . .
C12 C 0.8398(8) 0.42439(19) 0.37443(17) 0.1502(18) Uani 1 1 d . . . . .
H12A H 0.725691 0.403536 0.346456 0.180 Uiso 1 1 calc R U . . .
H12B H 0.977623 0.406032 0.357671 0.180 Uiso 1 1 calc R U . . .
C13 C 0.6127(6) 0.42895(14) 0.46617(15) 0.1091(10) Uani 1 1 d . . . . .
H13A H 0.594347 0.413363 0.512850 0.131 Uiso 1 1 calc R U . . .
H13B H 0.494448 0.408130 0.439917 0.131 Uiso 1 1 calc R U . . .
C14 C 0.6021(6) 0.51191(13) 0.46261(12) 0.0947(8) Uani 1 1 d . . . . .
H14A H 0.462466 0.528549 0.479446 0.114 Uiso 1 1 calc R U . . .
H14B H 0.713923 0.532925 0.491351 0.114 Uiso 1 1 calc R U . . .
C15 C 0.4400(4) 0.65416(10) 0.42643(10) 0.0666(5) Uani 1 1 d . . . . .
H15A H 0.306606 0.627993 0.416038 0.080 Uiso 1 1 calc R U . . .
H15B H 0.468867 0.647800 0.474393 0.080 Uiso 1 1 calc R U . . .
C16 C 0.4081(3) 0.73564(9) 0.41196(9) 0.0615(4) Uani 1 1 d . . . . .
C17 C 0.5590(4) 0.78812(12) 0.43646(11) 0.0758(5) Uani 1 1 d . . . . .
H17 H 0.679357 0.772205 0.460861 0.091 Uiso 1 1 calc R U . . .
C18 C 0.5297(4) 0.86223(12) 0.42461(11) 0.0791(6) Uani 1 1 d . . . . .
H18 H 0.630109 0.895958 0.441489 0.095 Uiso 1 1 calc R U . . .
C19 C 0.3507(4) 0.88830(10) 0.38742(9) 0.0656(4) Uani 1 1 d . . . . .
C20 C 0.3163(5) 0.96449(11) 0.37213(11) 0.0779(6) Uani 1 1 d . . . . .
H20 H 0.414043 0.999718 0.387984 0.093 Uiso 1 1 calc R U . . .
C21 C 0.1436(5) 0.98641(11) 0.33488(12) 0.0805(6) Uani 1 1 d . . . . .
H21 H 0.123831 1.036460 0.325514 0.097 Uiso 1 1 calc R U . . .
C22 C -0.0057(4) 0.93449(11) 0.31030(11) 0.0730(5) Uani 1 1 d . . . . .
C23 C 0.0193(3) 0.86060(10) 0.32426(11) 0.0668(4) Uani 1 1 d . . . . .
H23 H -0.081999 0.826532 0.308467 0.080 Uiso 1 1 calc R U . . .
C24 C 0.1990(3) 0.83625(9) 0.36264(9) 0.0584(4) Uani 1 1 d . . . . .
C25 C 0.2318(3) 0.75988(9) 0.37655(9) 0.0605(4) Uani 1 1 d . . . . .
H25 H 0.130712 0.725556 0.361125 0.073 Uiso 1 1 calc R U . . .
C26 C -0.3210(5) 0.91433(17) 0.24292(16) 0.1011(8) Uani 1 1 d . . . . .
H26A H -0.245367 0.880017 0.214216 0.152 Uiso 1 1 calc R U . . .
H26B H -0.424476 0.941641 0.216519 0.152 Uiso 1 1 calc R U . . .
H26C H -0.395115 0.887624 0.278044 0.152 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 C12 1.396(3) . ?
O1 C13 1.410(4) . ?
O2 C22 1.368(3) . ?
O2 C26 1.418(3) . ?
N1 C1 1.374(2) . ?
N1 C9 1.312(2) . ?
N2 C10 1.475(2) . ?
N2 C11 1.455(3) . ?
N2 C14 1.444(3) . ?
C1 C2 1.405(3) . ?
C1 C6 1.413(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.376(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.391(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.357(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.415(3) . ?
C6 C7 1.404(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.356(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.413(2) . ?
C9 C10 1.517(2) . ?
C10 H10 0.9800 . ?
C10 C15 1.542(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.518(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.500(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.511(2) . ?
C16 C17 1.413(3) . ?
C16 C25 1.364(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.370(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.406(3) . ?
C19 C20 1.424(3) . ?
C19 C24 1.413(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.353(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.400(3) . ?
C22 C23 1.370(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.412(3) . ?
C24 C25 1.420(2) . ?
C25 H25 0.9300 . ?
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
C12 O1 C13 109.4(2) . . ?
C22 O2 C26 117.55(18) . . ?
C9 N1 C1 117.89(15) . . ?
C11 N2 C10 110.07(18) . . ?
C14 N2 C10 115.19(16) . . ?
C14 N2 C11 108.18(19) . . ?
N1 C1 C2 118.55(17) . . ?
N1 C1 C6 122.47(17) . . ?
C2 C1 C6 118.97(17) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(2) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 120.9(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.1(2) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 119.3(2) . . ?
C7 C6 C1 117.33(16) . . ?
C7 C6 C5 123.4(2) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 C6 119.76(18) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.41(18) . . ?
C9 C8 H8 120.3 . . ?
N1 C9 C8 123.14(15) . . ?
N1 C9 C10 117.56(14) . . ?
C8 C9 C10 119.30(15) . . ?
N2 C10 C9 108.54(14) . . ?
N2 C10 H10 108.6 . . ?
N2 C10 C15 111.31(14) . . ?
C9 C10 H10 108.6 . . ?
C9 C10 C15 110.99(14) . . ?
C15 C10 H10 108.6 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
N2 C11 C12 110.9(3) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
O1 C12 C11 111.6(3) . . ?
O1 C12 H12A 109.3 . . ?
O1 C12 H12B 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
O1 C13 H13A 109.2 . . ?
O1 C13 H13B 109.2 . . ?
O1 C13 C14 112.1(3) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
N2 C14 C13 111.26(19) . . ?
N2 C14 H14A 109.4 . . ?
N2 C14 H14B 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C10 C15 H15A 108.9 . . ?
C10 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 C10 113.48(15) . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
C17 C16 C15 120.14(18) . . ?
C25 C16 C15 120.85(18) . . ?
C25 C16 C17 119.00(17) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(2) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.30(19) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 C20 123.4(2) . . ?
C18 C19 C24 118.52(17) . . ?
C24 C19 C20 118.0(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(2) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.65(18) . . ?
C22 C21 H21 119.7 . . ?
O2 C22 C21 114.51(19) . . ?
O2 C22 C23 125.0(2) . . ?
C23 C22 C21 120.5(2) . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 119.93(19) . . ?
C24 C23 H23 120.0 . . ?
C19 C24 C25 118.96(18) . . ?
C23 C24 C19 119.87(16) . . ?
C23 C24 C25 121.17(17) . . ?
C16 C25 C24 121.60(17) . . ?
C16 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
O2 C26 H26A 109.5 . . ?
O2 C26 H26B 109.5 . . ?
O2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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 C13 C14 N2 58.1(4) . . . . ?
O2 C22 C23 C24 178.45(18) . . . . ?
N1 C1 C2 C3 180.00(19) . . . . ?
N1 C1 C6 C5 -179.48(18) . . . . ?
N1 C1 C6 C7 -0.9(3) . . . . ?
N1 C9 C10 N2 -118.32(16) . . . . ?
N1 C9 C10 C15 119.06(17) . . . . ?
N2 C10 C15 C16 -171.83(16) . . . . ?
N2 C11 C12 O1 -58.3(5) . . . . ?
C1 N1 C9 C8 0.6(2) . . . . ?
C1 N1 C9 C10 -179.91(14) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C1 C6 C7 C8 0.6(3) . . . . ?
C2 C1 C6 C5 -0.6(3) . . . . ?
C2 C1 C6 C7 178.01(17) . . . . ?
C2 C3 C4 C5 0.2(4) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C4 C5 C6 C7 -178.6(2) . . . . ?
C5 C6 C7 C8 179.2(2) . . . . ?
C6 C1 C2 C3 1.1(3) . . . . ?
C6 C7 C8 C9 0.1(3) . . . . ?
C7 C8 C9 N1 -0.8(3) . . . . ?
C7 C8 C9 C10 179.69(17) . . . . ?
C8 C9 C10 N2 61.2(2) . . . . ?
C8 C9 C10 C15 -61.4(2) . . . . ?
C9 N1 C1 C2 -178.60(16) . . . . ?
C9 N1 C1 C6 0.3(2) . . . . ?
C9 C10 C15 C16 -50.8(2) . . . . ?
C10 N2 C11 C12 -177.9(3) . . . . ?
C10 N2 C14 C13 -179.1(2) . . . . ?
C10 C15 C16 C17 -72.5(2) . . . . ?
C10 C15 C16 C25 108.9(2) . . . . ?
C11 N2 C10 C9 70.7(2) . . . . ?
C11 N2 C10 C15 -166.83(19) . . . . ?
C11 N2 C14 C13 -55.4(4) . . . . ?
C12 O1 C13 C14 -58.0(4) . . . . ?
C13 O1 C12 C11 57.9(5) . . . . ?
C14 N2 C10 C9 -166.7(2) . . . . ?
C14 N2 C10 C15 -44.2(3) . . . . ?
C14 N2 C11 C12 55.4(3) . . . . ?
C15 C16 C17 C18 -178.9(2) . . . . ?
C15 C16 C25 C24 179.85(16) . . . . ?
C16 C17 C18 C19 -0.6(4) . . . . ?
C17 C16 C25 C24 1.3(3) . . . . ?
C17 C18 C19 C20 -178.2(2) . . . . ?
C17 C18 C19 C24 0.5(3) . . . . ?
C18 C19 C20 C21 178.6(2) . . . . ?
C18 C19 C24 C23 -179.07(18) . . . . ?
C18 C19 C24 C25 0.4(3) . . . . ?
C19 C20 C21 C22 -0.1(3) . . . . ?
C19 C24 C25 C16 -1.3(3) . . . . ?
C20 C19 C24 C23 -0.3(3) . . . . ?
C20 C19 C24 C25 179.18(18) . . . . ?
C20 C21 C22 O2 -178.9(2) . . . . ?
C20 C21 C22 C23 0.8(3) . . . . ?
C21 C22 C23 C24 -1.2(3) . . . . ?
C22 C23 C24 C19 1.0(3) . . . . ?
C22 C23 C24 C25 -178.52(18) . . . . ?
C23 C24 C25 C16 178.17(17) . . . . ?
C24 C19 C20 C21 -0.1(3) . . . . ?
C25 C16 C17 C18 -0.3(3) . . . . ?
C26 O2 C22 C21 176.7(2) . . . . ?
C26 O2 C22 C23 -2.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
