# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_a
_database_code_depnum_ccdc_archive 'CCDC 2205073'
loop_
_audit_author_name
_audit_author_address
Zhang
;Jiangsu Normal university
China
;
_audit_update_record             
;
2022-09-03 deposited with the CCDC.	2023-04-17 downloaded from the CCDC.
;
_audit_creation_date             2022-08-11
_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        yhp
_chemical_formula_moiety         'C26 H24 Br N O2'
_chemical_formula_sum            'C26 H24 Br N O2'
_chemical_formula_weight         462.37
_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'
Br Br -0.2901 2.4595 '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      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                   10.1209(12)
_cell_length_b                   10.0643(12)
_cell_length_c                   21.904(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.693(2)
_cell_angle_gamma                90
_cell_volume                     2230.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4225
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.835
_shelx_estimated_absorpt_T_min   0.835
_exptl_absorpt_coefficient_mu    1.865
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5771
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/3 (Bruker,2014/3) was used for absorption correction.
wR2(int) was 0.0823 before and 0.0331 after correction.
The Ratio of minimum to maximum transmission is 0.7738.
The λ/2 correction factor is 0.00150.
;
_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    1.377
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13696
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.924
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.833
_diffrn_reflns_theta_min         2.227
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.924
_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                3592
_reflns_number_total             5398
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         5398
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0619
_refine_ls_restrained_S_all      1.055
_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)+(0.0804P)²+1.6118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1796
_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:
 C13(H13), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B)
2.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C20(H20), C26(H26), C4(H4), C22(H22), C17(H17), C6(H6), C25(H25),
 C18(H18), C2(H2), C19(H19), C1(H1), C3(H3), C23(H23)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_special_details      
;
The structure was solved using Patterson Methods, followed by a Tangent Expansion (ShelXS). RE = 0.3, Nqual =  -1, Ralpha = 0.050
;
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
Br1 Br 0.87159(5) 0.12925(7) 0.97360(2) 0.1137(3) Uani 1 1 d . . . . .
O2 O 0.4404(2) 0.4037(2) 0.76818(11) 0.0568(6) Uani 1 1 d . . . . .
N1 N 0.2448(2) 0.1504(3) 0.62738(11) 0.0473(6) Uani 1 1 d . . . . .
O1 O 0.2711(3) 0.1237(3) 0.52387(12) 0.0923(10) Uani 1 1 d . . . . .
C21 C 0.6219(3) 0.2809(3) 0.80623(12) 0.0378(6) Uani 1 1 d . . . . .
C15 C 0.6568(3) 0.3929(3) 0.66713(13) 0.0406(6) Uani 1 1 d . . . . .
C13 C 0.5573(3) 0.2921(3) 0.68995(12) 0.0365(6) Uani 1 1 d . . . . .
H13 H 0.597879 0.203738 0.689592 0.044 Uiso 1 1 calc R U . . .
C14 C 0.5310(3) 0.3305(3) 0.75631(13) 0.0379(6) Uani 1 1 d . . . . .
C8 C 0.4281(3) 0.2876(3) 0.65185(12) 0.0386(6) Uani 1 1 d . . . . .
H8 H 0.390486 0.377322 0.650875 0.046 Uiso 1 1 calc R U . . .
C5 C 0.1234(3) 0.0838(3) 0.63602(15) 0.0491(7) Uani 1 1 d . . . . .
C7 C 0.3267(3) 0.1943(3) 0.67971(13) 0.0439(7) Uani 1 1 d . . . . .
H7A H 0.370009 0.119435 0.699730 0.053 Uiso 1 1 calc R U . . .
H7B H 0.273976 0.240870 0.709169 0.053 Uiso 1 1 calc R U . . .
C9 C 0.4396(3) 0.2389(3) 0.58484(13) 0.0497(7) Uani 1 1 d . . . . .
C16 C 0.7842(3) 0.3563(3) 0.65322(15) 0.0500(7) Uani 1 1 d . . . . .
H16 H 0.810949 0.268472 0.658336 0.060 Uiso 1 1 calc R U . . .
C20 C 0.6210(3) 0.5254(3) 0.66054(16) 0.0537(8) Uani 1 1 d . . . . .
H20 H 0.536415 0.552244 0.670568 0.064 Uiso 1 1 calc R U . . .
C10 C 0.3087(3) 0.1650(4) 0.57335(15) 0.0568(8) Uani 1 1 d . . . . .
C12 C 0.5518(4) 0.1401(3) 0.57459(16) 0.0583(9) Uani 1 1 d . . . . .
H12A H 0.634017 0.187183 0.572618 0.087 Uiso 1 1 calc R U . . .
H12B H 0.535231 0.093234 0.536959 0.087 Uiso 1 1 calc R U . . .
H12C H 0.556459 0.077784 0.607786 0.087 Uiso 1 1 calc R U . . .
C26 C 0.6072(4) 0.3327(4) 0.86404(15) 0.0579(8) Uani 1 1 d . . . . .
H26 H 0.543430 0.397622 0.869956 0.069 Uiso 1 1 calc R U . . .
C4 C 0.0943(3) 0.0360(4) 0.69344(18) 0.0626(9) Uani 1 1 d . . . . .
H4 H 0.155137 0.045484 0.725818 0.075 Uiso 1 1 calc R U . . .
C22 C 0.7162(3) 0.1842(4) 0.79882(14) 0.0606(9) Uani 1 1 d . . . . .
H22 H 0.728648 0.148210 0.760304 0.073 Uiso 1 1 calc R U . . .
C17 C 0.8721(3) 0.4495(4) 0.63174(17) 0.0646(10) Uani 1 1 d . . . . .
H17 H 0.957028 0.423602 0.621809 0.077 Uiso 1 1 calc R U . . .
C24 C 0.7742(3) 0.1936(4) 0.90465(15) 0.0614(9) Uani 1 1 d . . . . .
C6 C 0.0320(3) 0.0678(4) 0.58820(18) 0.0654(9) Uani 1 1 d . . . . .
H6 H 0.049772 0.099626 0.549446 0.078 Uiso 1 1 calc R U . . .
C25 C 0.6841(4) 0.2908(4) 0.91289(15) 0.0685(10) Uani 1 1 d . . . . .
H25 H 0.674427 0.328708 0.951225 0.082 Uiso 1 1 calc R U . . .
C18 C 0.8345(4) 0.5796(4) 0.62503(19) 0.0712(11) Uani 1 1 d . . . . .
H18 H 0.894120 0.641934 0.610798 0.085 Uiso 1 1 calc R U . . .
C2 C -0.0870(4) 0.0033(4) 0.5989(2) 0.0793(13) Uani 1 1 d . . . . .
H2 H -0.147875 -0.009075 0.566807 0.095 Uiso 1 1 calc R U . . .
C19 C 0.7095(4) 0.6179(3) 0.6393(2) 0.0675(10) Uani 1 1 d . . . . .
H19 H 0.683963 0.706219 0.634628 0.081 Uiso 1 1 calc R U . . .
C1 C -0.1158(4) -0.0419(4) 0.6557(2) 0.0791(13) Uani 1 1 d . . . . .
H1 H -0.196256 -0.083269 0.662390 0.095 Uiso 1 1 calc R U . . .
C3 C -0.0258(4) -0.0261(4) 0.7023(2) 0.0774(12) Uani 1 1 d . . . . .
H3 H -0.045236 -0.057438 0.740980 0.093 Uiso 1 1 calc R U . . .
C23 C 0.7926(4) 0.1400(5) 0.84803(18) 0.0758(12) Uani 1 1 d . . . . .
H23 H 0.855985 0.074467 0.842774 0.091 Uiso 1 1 calc R U . . .
C11 C 0.4486(5) 0.3535(4) 0.53883(18) 0.0775(12) Uani 1 1 d . . . . .
H11A H 0.377503 0.414867 0.544862 0.116 Uiso 1 1 calc R U . . .
H11B H 0.442272 0.318735 0.498035 0.116 Uiso 1 1 calc R U . . .
H11C H 0.531544 0.398559 0.544829 0.116 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
Br1 C24 1.893(3) . ?
O2 C14 1.211(3) . ?
N1 C5 1.418(4) . ?
N1 C7 1.463(4) . ?
N1 C10 1.373(4) . ?
O1 C10 1.212(4) . ?
C21 C14 1.494(4) . ?
C21 C26 1.382(4) . ?
C21 C22 1.376(4) . ?
C15 C13 1.525(4) . ?
C15 C16 1.383(4) . ?
C15 C20 1.388(4) . ?
C13 H13 0.9800 . ?
C13 C14 1.535(4) . ?
C13 C8 1.531(4) . ?
C8 H8 0.9800 . ?
C8 C7 1.531(4) . ?
C8 C9 1.555(4) . ?
C5 C4 1.386(5) . ?
C5 C6 1.387(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C9 C10 1.533(4) . ?
C9 C12 1.532(5) . ?
C9 C11 1.536(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(5) . ?
C20 H20 0.9300 . ?
C20 C19 1.382(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C26 H26 0.9300 . ?
C26 C25 1.371(5) . ?
C4 H4 0.9300 . ?
C4 C3 1.386(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.371(6) . ?
C24 C25 1.353(5) . ?
C24 C23 1.370(5) . ?
C6 H6 0.9300 . ?
C6 C2 1.394(5) . ?
C25 H25 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.368(6) . ?
C2 H2 0.9300 . ?
C2 C1 1.363(6) . ?
C19 H19 0.9300 . ?
C1 H1 0.9300 . ?
C1 C3 1.357(6) . ?
C3 H3 0.9300 . ?
C23 H23 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 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
C5 N1 C7 120.8(2) . . ?
C10 N1 C5 126.7(3) . . ?
C10 N1 C7 111.9(2) . . ?
C26 C21 C14 117.6(3) . . ?
C22 C21 C14 124.3(2) . . ?
C22 C21 C26 118.0(3) . . ?
C16 C15 C13 121.6(3) . . ?
C16 C15 C20 118.4(3) . . ?
C20 C15 C13 120.0(3) . . ?
C15 C13 H13 108.7 . . ?
C15 C13 C14 106.1(2) . . ?
C15 C13 C8 113.8(2) . . ?
C14 C13 H13 108.7 . . ?
C8 C13 H13 108.7 . . ?
C8 C13 C14 110.8(2) . . ?
O2 C14 C21 120.0(3) . . ?
O2 C14 C13 120.6(3) . . ?
C21 C14 C13 119.3(2) . . ?
C13 C8 H8 108.0 . . ?
C13 C8 C7 111.9(2) . . ?
C13 C8 C9 115.9(2) . . ?
C7 C8 H8 108.0 . . ?
C7 C8 C9 104.6(2) . . ?
C9 C8 H8 108.0 . . ?
C4 C5 N1 119.6(3) . . ?
C4 C5 C6 119.4(3) . . ?
C6 C5 N1 121.1(3) . . ?
N1 C7 C8 104.1(2) . . ?
N1 C7 H7A 110.9 . . ?
N1 C7 H7B 110.9 . . ?
C8 C7 H7A 110.9 . . ?
C8 C7 H7B 110.9 . . ?
H7A C7 H7B 109.0 . . ?
C10 C9 C8 102.7(2) . . ?
C10 C9 C11 108.9(3) . . ?
C12 C9 C8 114.8(3) . . ?
C12 C9 C10 107.5(3) . . ?
C12 C9 C11 109.5(3) . . ?
C11 C9 C8 113.0(3) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.8(3) . . ?
C19 C20 H20 119.6 . . ?
N1 C10 C9 109.7(3) . . ?
O1 C10 N1 126.2(3) . . ?
O1 C10 C9 124.1(3) . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.7(3) . . ?
C25 C26 H26 119.2 . . ?
C5 C4 H4 120.2 . . ?
C5 C4 C3 119.6(4) . . ?
C3 C4 H4 120.2 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C25 C24 Br1 118.6(3) . . ?
C25 C24 C23 121.0(3) . . ?
C23 C24 Br1 120.4(3) . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C2 119.2(4) . . ?
C2 C6 H6 120.4 . . ?
C26 C25 H25 120.4 . . ?
C24 C25 C26 119.2(3) . . ?
C24 C25 H25 120.4 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C6 C2 H2 119.4 . . ?
C1 C2 C6 121.2(4) . . ?
C1 C2 H2 119.4 . . ?
C20 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C18 C19 H19 120.0 . . ?
C2 C1 H1 120.3 . . ?
C3 C1 C2 119.4(4) . . ?
C3 C1 H1 120.3 . . ?
C4 C3 H3 119.4 . . ?
C1 C3 C4 121.3(4) . . ?
C1 C3 H3 119.4 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.5(3) . . ?
C24 C23 H23 120.3 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 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
Br1 C24 C25 C26 -176.0(3) . . . . ?
Br1 C24 C23 C22 177.0(3) . . . . ?
N1 C5 C4 C3 178.3(3) . . . . ?
N1 C5 C6 C2 -179.1(3) . . . . ?
C21 C26 C25 C24 -1.9(6) . . . . ?
C21 C22 C23 C24 -0.2(7) . . . . ?
C15 C13 C14 O2 92.5(3) . . . . ?
C15 C13 C14 C21 -85.1(3) . . . . ?
C15 C13 C8 C7 -174.9(2) . . . . ?
C15 C13 C8 C9 65.2(3) . . . . ?
C15 C16 C17 C18 1.2(5) . . . . ?
C15 C20 C19 C18 -0.7(6) . . . . ?
C13 C15 C16 C17 179.1(3) . . . . ?
C13 C15 C20 C19 -179.3(3) . . . . ?
C13 C8 C7 N1 -152.8(2) . . . . ?
C13 C8 C9 C10 146.0(3) . . . . ?
C13 C8 C9 C12 29.7(3) . . . . ?
C13 C8 C9 C11 -96.8(3) . . . . ?
C14 C21 C26 C25 178.5(3) . . . . ?
C14 C21 C22 C23 -177.3(3) . . . . ?
C14 C13 C8 C7 -55.4(3) . . . . ?
C14 C13 C8 C9 -175.3(2) . . . . ?
C8 C13 C14 O2 -31.5(4) . . . . ?
C8 C13 C14 C21 151.0(2) . . . . ?
C8 C9 C10 N1 -10.2(4) . . . . ?
C8 C9 C10 O1 171.5(4) . . . . ?
C5 N1 C7 C8 -167.2(3) . . . . ?
C5 N1 C10 O1 0.4(6) . . . . ?
C5 N1 C10 C9 -177.8(3) . . . . ?
C5 C4 C3 C1 0.5(6) . . . . ?
C5 C6 C2 C1 1.2(6) . . . . ?
C7 N1 C5 C4 -13.1(5) . . . . ?
C7 N1 C5 C6 165.7(3) . . . . ?
C7 N1 C10 O1 171.3(4) . . . . ?
C7 N1 C10 C9 -6.9(4) . . . . ?
C7 C8 C9 C10 22.3(3) . . . . ?
C7 C8 C9 C12 -94.1(3) . . . . ?
C7 C8 C9 C11 139.4(3) . . . . ?
C9 C8 C7 N1 -26.4(3) . . . . ?
C16 C15 C13 C14 112.9(3) . . . . ?
C16 C15 C13 C8 -125.0(3) . . . . ?
C16 C15 C20 C19 1.5(5) . . . . ?
C16 C17 C18 C19 -0.4(6) . . . . ?
C20 C15 C13 C14 -66.3(3) . . . . ?
C20 C15 C13 C8 55.7(4) . . . . ?
C20 C15 C16 C17 -1.7(5) . . . . ?
C10 N1 C5 C4 157.1(4) . . . . ?
C10 N1 C5 C6 -24.2(5) . . . . ?
C10 N1 C7 C8 21.3(3) . . . . ?
C12 C9 C10 N1 111.2(3) . . . . ?
C12 C9 C10 O1 -67.0(5) . . . . ?
C26 C21 C14 O2 -6.9(4) . . . . ?
C26 C21 C14 C13 170.7(3) . . . . ?
C26 C21 C22 C23 0.5(5) . . . . ?
C4 C5 C6 C2 -0.3(6) . . . . ?
C22 C21 C14 O2 171.0(3) . . . . ?
C22 C21 C14 C13 -11.5(4) . . . . ?
C22 C21 C26 C25 0.5(5) . . . . ?
C17 C18 C19 C20 0.1(7) . . . . ?
C6 C5 C4 C3 -0.5(6) . . . . ?
C6 C2 C1 C3 -1.2(7) . . . . ?
C25 C24 C23 C22 -1.2(7) . . . . ?
C2 C1 C3 C4 0.4(7) . . . . ?
C23 C24 C25 C26 2.2(7) . . . . ?
C11 C9 C10 N1 -130.2(3) . . . . ?
C11 C9 C10 O1 51.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
