# Electronic Supplementary Material (ESI) for Materials Horizons.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_200817_tpa_an_mphcz_0m
_database_code_depnum_ccdc_archive 'CCDC 2042010'
loop_
_audit_author_name
_audit_author_address
'Pengbo Han'
;South China University of Technology
China
;
_audit_update_record             
;
2020-11-02 deposited with the CCDC.	2021-08-27 downloaded from the CCDC.
;
_audit_creation_date             2020-08-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H34 N2'
_chemical_formula_sum            'C50 H34 N2'
_chemical_formula_weight         662.79
_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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.525(10)
_cell_length_b                   9.546(6)
_cell_length_c                   20.594(13)
_cell_angle_alpha                90
_cell_angle_beta                 114.38(2)
_cell_angle_gamma                90
_cell_volume                     3496(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7956
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.85
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.969
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1860 before and 0.0511 after correction.
The Ratio of minimum to maximum transmission is 0.9187.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.43
_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  0.0453
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27239
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.352
_diffrn_reflns_theta_min         2.290
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'zju Bruker D8 Venture Ims3.0'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5623
_reflns_number_total             7057
_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
_computing.data_collection       Bruker
_computing.data_reduction        SAINT
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.210
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7057
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.066
_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)+(0.0441P)²+0.9002P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1066
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C37(H37),
 C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C46(H46), C47(H47),
  C48(H48), C49(H49), C50(H50)
;
_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
N1 N 0.07046(6) 0.18490(13) 0.46279(6) 0.0268(3) Uani 1 1 d . . . . .
N2 N 0.69390(6) 0.89642(13) 0.64530(7) 0.0313(3) Uani 1 1 d . . . . .
C1 C 0.05778(8) 0.05529(16) 0.42869(8) 0.0289(3) Uani 1 1 d . . . . .
C2 C 0.09285(9) -0.07220(18) 0.45354(9) 0.0386(4) Uani 1 1 d . . . . .
H2 H 0.130542 -0.082299 0.500649 0.046 Uiso 1 1 calc R . . . .
C3 C 0.07034(11) -0.1848(2) 0.40635(11) 0.0491(5) Uani 1 1 d . . . . .
H3 H 0.093246 -0.273720 0.421549 0.059 Uiso 1 1 calc R . . . .
C4 C 0.01446(11) -0.1697(2) 0.33674(11) 0.0521(5) Uani 1 1 d . . . . .
H4 H 0.000604 -0.248355 0.305693 0.063 Uiso 1 1 calc R . . . .
C5 C -0.02031(10) -0.0439(2) 0.31287(9) 0.0441(5) Uani 1 1 d . . . . .
H5 H -0.058074 -0.035011 0.265728 0.053 Uiso 1 1 calc R . . . .
C6 C 0.00047(8) 0.07137(18) 0.35882(8) 0.0333(4) Uani 1 1 d . . . . .
C7 C -0.02297(8) 0.21541(19) 0.35121(8) 0.0324(4) Uani 1 1 d . . . . .
C8 C 0.02151(7) 0.28266(17) 0.41621(7) 0.0271(3) Uani 1 1 d . . . . .
C9 C 0.01323(8) 0.42343(18) 0.42802(8) 0.0344(4) Uani 1 1 d . . . . .
H9 H 0.043959 0.467258 0.471848 0.041 Uiso 1 1 calc R . . . .
C10 C -0.04162(9) 0.4976(2) 0.37338(10) 0.0445(4) Uani 1 1 d . . . . .
H10 H -0.049435 0.593575 0.380433 0.053 Uiso 1 1 calc R . . . .
C11 C -0.08555(9) 0.4348(2) 0.30838(10) 0.0504(5) Uani 1 1 d . . . . .
H11 H -0.122224 0.488996 0.271775 0.060 Uiso 1 1 calc R . . . .
C12 C -0.07667(8) 0.2953(2) 0.29631(8) 0.0440(5) Uani 1 1 d . . . . .
H12 H -0.106384 0.253641 0.251554 0.053 Uiso 1 1 calc R . . . .
C13 C 0.12629(7) 0.21975(15) 0.53208(7) 0.0234(3) Uani 1 1 d . . . . .
C14 C 0.18171(7) 0.31667(15) 0.53731(7) 0.0244(3) Uani 1 1 d . . . . .
H14 H 0.183895 0.353320 0.495326 0.029 Uiso 1 1 calc R . . . .
C15 C 0.23410(7) 0.36003(15) 0.60430(7) 0.0229(3) Uani 1 1 d . . . . .
C16 C 0.22960(7) 0.30446(15) 0.66543(7) 0.0247(3) Uani 1 1 d . . . . .
H16 H 0.264023 0.334997 0.711212 0.030 Uiso 1 1 calc R . . . .
C17 C 0.17532(7) 0.20514(16) 0.65981(8) 0.0269(3) Uani 1 1 d . . . . .
H17 H 0.173678 0.166681 0.701691 0.032 Uiso 1 1 calc R . . . .
C18 C 0.12335(7) 0.16186(15) 0.59302(8) 0.0257(3) Uani 1 1 d . . . . .
H18 H 0.086359 0.093724 0.589042 0.031 Uiso 1 1 calc R . . . .
C19 C 0.29731(7) 0.45576(15) 0.60961(7) 0.0218(3) Uani 1 1 d . . . . .
C20 C 0.29535(7) 0.60005(15) 0.62250(7) 0.0215(3) Uani 1 1 d . . . . .
C21 C 0.23075(7) 0.66354(16) 0.62714(7) 0.0256(3) Uani 1 1 d . . . . .
H21 H 0.188995 0.606711 0.622370 0.031 Uiso 1 1 calc R . . . .
C22 C 0.22838(8) 0.80327(16) 0.63822(7) 0.0279(3) Uani 1 1 d . . . . .
H22 H 0.184735 0.843578 0.640067 0.034 Uiso 1 1 calc R . . . .
C23 C 0.29100(8) 0.88956(16) 0.64708(7) 0.0277(3) Uani 1 1 d . . . . .
H23 H 0.288882 0.987244 0.654868 0.033 Uiso 1 1 calc R . . . .
C24 C 0.35424(8) 0.83329(15) 0.64449(7) 0.0252(3) Uani 1 1 d . . . . .
H24 H 0.396127 0.892215 0.652313 0.030 Uiso 1 1 calc R . . . .
C25 C 0.35873(7) 0.68759(15) 0.63025(7) 0.0211(3) Uani 1 1 d . . . . .
C26 C 0.42141(7) 0.62946(15) 0.62206(7) 0.0216(3) Uani 1 1 d . . . . .
C27 C 0.42065(7) 0.48640(15) 0.60435(7) 0.0233(3) Uani 1 1 d . . . . .
C28 C 0.35926(7) 0.39764(15) 0.60008(7) 0.0230(3) Uani 1 1 d . . . . .
C29 C 0.36240(8) 0.25166(16) 0.58542(8) 0.0309(3) Uani 1 1 d . . . . .
H29 H 0.323326 0.191279 0.584487 0.037 Uiso 1 1 calc R . . . .
C30 C 0.42022(9) 0.19793(18) 0.57282(10) 0.0393(4) Uani 1 1 d . . . . .
H30 H 0.421533 0.100537 0.563925 0.047 Uiso 1 1 calc R . . . .
C31 C 0.47859(8) 0.28630(18) 0.57287(9) 0.0387(4) Uani 1 1 d . . . . .
H31 H 0.517626 0.248392 0.562019 0.046 Uiso 1 1 calc R . . . .
C32 C 0.47914(8) 0.42467(17) 0.58830(8) 0.0309(3) Uani 1 1 d . . . . .
H32 H 0.519000 0.482006 0.588511 0.037 Uiso 1 1 calc R . . . .
C33 C 0.48979(7) 0.71409(15) 0.63195(7) 0.0231(3) Uani 1 1 d . . . . .
C34 C 0.48944(7) 0.81802(15) 0.58403(7) 0.0263(3) Uani 1 1 d . . . . .
H34 H 0.442997 0.846040 0.547119 0.032 Uiso 1 1 calc R . . . .
C35 C 0.55599(8) 0.88158(16) 0.58928(8) 0.0284(3) Uani 1 1 d . . . . .
H35 H 0.554170 0.952107 0.556057 0.034 Uiso 1 1 calc R . . . .
C36 C 0.62509(7) 0.84252(15) 0.64282(8) 0.0258(3) Uani 1 1 d . . . . .
C37 C 0.62540(7) 0.74502(16) 0.69382(8) 0.0289(3) Uani 1 1 d . . . . .
H37 H 0.671351 0.722272 0.732827 0.035 Uiso 1 1 calc R . . . .
C38 C 0.55913(7) 0.68143(16) 0.68780(8) 0.0270(3) Uani 1 1 d . . . . .
H38 H 0.560773 0.614073 0.722368 0.032 Uiso 1 1 calc R . . . .
C39 C 0.69682(7) 1.03269(15) 0.61804(8) 0.0265(3) Uani 1 1 d . . . . .
C40 C 0.67121(8) 1.14819(16) 0.64269(8) 0.0318(3) Uani 1 1 d . . . . .
H40 H 0.651936 1.136413 0.677824 0.038 Uiso 1 1 calc R . . . .
C41 C 0.67376(8) 1.28069(17) 0.61601(9) 0.0355(4) Uani 1 1 d . . . . .
H41 H 0.656206 1.359313 0.633014 0.043 Uiso 1 1 calc R . . . .
C42 C 0.70195(8) 1.29919(17) 0.56439(8) 0.0338(4) Uani 1 1 d . . . . .
H42 H 0.702669 1.389723 0.545540 0.041 Uiso 1 1 calc R . . . .
C43 C 0.72889(8) 1.18448(17) 0.54081(8) 0.0324(3) Uani 1 1 d . . . . .
H43 H 0.749319 1.196913 0.506574 0.039 Uiso 1 1 calc R . . . .
C44 C 0.72615(8) 1.05187(17) 0.56692(8) 0.0303(3) Uani 1 1 d . . . . .
H44 H 0.744208 0.973606 0.550143 0.036 Uiso 1 1 calc R . . . .
C45 C 0.75864(8) 0.80898(16) 0.66480(8) 0.0282(3) Uani 1 1 d . . . . .
C46 C 0.82973(8) 0.86506(17) 0.70524(8) 0.0309(3) Uani 1 1 d . . . . .
H46 H 0.834303 0.960019 0.720249 0.037 Uiso 1 1 calc R . . . .
C47 C 0.89366(8) 0.78314(18) 0.72363(8) 0.0334(4) Uani 1 1 d . . . . .
H47 H 0.941740 0.822937 0.750457 0.040 Uiso 1 1 calc R . . . .
C48 C 0.88812(9) 0.64426(18) 0.70331(9) 0.0378(4) Uani 1 1 d . . . . .
H48 H 0.931950 0.588084 0.716320 0.045 Uiso 1 1 calc R . . . .
C49 C 0.81757(9) 0.58805(19) 0.66361(10) 0.0438(4) Uani 1 1 d . . . . .
H49 H 0.813239 0.492410 0.649729 0.053 Uiso 1 1 calc R . . . .
C50 C 0.75311(8) 0.66954(18) 0.64384(9) 0.0380(4) Uani 1 1 d . . . . .
H50 H 0.705264 0.629908 0.615997 0.046 Uiso 1 1 calc R . . . .


_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
N1 C1 1.394(2) . ?
N1 C8 1.3956(19) . ?
N1 C13 1.4321(18) . ?
N2 C36 1.4196(18) . ?
N2 C39 1.427(2) . ?
N2 C45 1.4272(19) . ?
C1 C2 1.387(2) . ?
C1 C6 1.420(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.393(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.405(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.367(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.398(2) . ?
C6 C7 1.437(3) . ?
C7 C8 1.414(2) . ?
C7 C12 1.407(2) . ?
C8 C9 1.387(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(2) . ?
C13 C18 1.394(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.398(2) . ?
C15 C16 1.402(2) . ?
C15 C19 1.5029(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.391(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.393(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.406(2) . ?
C19 C28 1.4162(19) . ?
C20 C21 1.4377(19) . ?
C20 C25 1.4464(19) . ?
C21 H21 0.9500 . ?
C21 C22 1.357(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.422(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.368(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.432(2) . ?
C25 C26 1.4159(19) . ?
C26 C27 1.412(2) . ?
C26 C33 1.5006(19) . ?
C27 C28 1.4407(19) . ?
C27 C32 1.440(2) . ?
C28 C29 1.433(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.359(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.418(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.358(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.398(2) . ?
C33 C38 1.403(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.397(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.395(2) . ?
C36 C37 1.402(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(2) . ?
C38 H38 0.9500 . ?
C39 C40 1.390(2) . ?
C39 C44 1.403(2) . ?
C40 H40 0.9500 . ?
C40 C41 1.388(2) . ?
C41 H41 0.9500 . ?
C41 C42 1.395(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.387(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.385(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.397(2) . ?
C45 C50 1.390(2) . ?
C46 H46 0.9500 . ?
C46 C47 1.387(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.381(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.387(2) . ?
C49 H49 0.9500 . ?
C49 C50 1.390(2) . ?
C50 H50 0.9500 . ?

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
C1 N1 C8 108.57(12) . . ?
C1 N1 C13 127.75(12) . . ?
C8 N1 C13 123.59(13) . . ?
C36 N2 C39 120.47(12) . . ?
C36 N2 C45 120.88(13) . . ?
C45 N2 C39 117.97(11) . . ?
N1 C1 C6 108.45(14) . . ?
C2 C1 N1 129.44(14) . . ?
C2 C1 C6 122.10(15) . . ?
C1 C2 H2 121.5 . . ?
C1 C2 C3 117.02(17) . . ?
C3 C2 H2 121.5 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.39(19) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.20(17) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 119.08(17) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 C7 107.23(13) . . ?
C5 C6 C1 119.19(17) . . ?
C5 C6 C7 133.56(16) . . ?
C8 C7 C6 106.72(13) . . ?
C12 C7 C6 134.75(16) . . ?
C12 C7 C8 118.53(17) . . ?
N1 C8 C7 109.02(14) . . ?
C9 C8 N1 128.58(14) . . ?
C9 C8 C7 122.38(14) . . ?
C8 C9 H9 121.3 . . ?
C10 C9 C8 117.36(16) . . ?
C10 C9 H9 121.3 . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.60(19) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.02(16) . . ?
C12 C11 H11 119.5 . . ?
C7 C12 H12 120.5 . . ?
C11 C12 C7 119.07(16) . . ?
C11 C12 H12 120.5 . . ?
C14 C13 N1 118.59(13) . . ?
C14 C13 C18 120.85(12) . . ?
C18 C13 N1 120.51(13) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.08(13) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C16 118.84(13) . . ?
C14 C15 C19 119.74(12) . . ?
C16 C15 C19 121.25(12) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.76(13) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.25(13) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 120.4 . . ?
C17 C18 C13 119.18(13) . . ?
C17 C18 H18 120.4 . . ?
C20 C19 C15 121.59(12) . . ?
C20 C19 C28 120.08(12) . . ?
C28 C19 C15 118.32(13) . . ?
C19 C20 C21 121.23(12) . . ?
C19 C20 C25 119.87(12) . . ?
C21 C20 C25 118.90(13) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.15(13) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.24(13) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.64(14) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.48(13) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C20 117.51(12) . . ?
C26 C25 C20 120.18(13) . . ?
C26 C25 C24 122.29(12) . . ?
C25 C26 C33 122.49(13) . . ?
C27 C26 C25 119.50(12) . . ?
C27 C26 C33 118.01(12) . . ?
C26 C27 C28 120.29(12) . . ?
C26 C27 C32 122.04(13) . . ?
C32 C27 C28 117.65(14) . . ?
C19 C28 C27 119.86(13) . . ?
C19 C28 C29 121.58(13) . . ?
C29 C28 C27 118.56(13) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.24(14) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.41(15) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.53(14) . . ?
C32 C31 H31 119.7 . . ?
C27 C32 H32 119.3 . . ?
C31 C32 C27 121.44(14) . . ?
C31 C32 H32 119.3 . . ?
C34 C33 C26 122.80(12) . . ?
C34 C33 C38 117.29(12) . . ?
C38 C33 C26 119.68(13) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 C33 121.37(13) . . ?
C35 C34 H34 119.3 . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.67(14) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 N2 121.57(13) . . ?
C35 C36 C37 118.24(13) . . ?
C37 C36 N2 120.17(12) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.55(13) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 H38 119.2 . . ?
C37 C38 C33 121.66(14) . . ?
C37 C38 H38 119.2 . . ?
C40 C39 N2 120.01(14) . . ?
C40 C39 C44 119.37(14) . . ?
C44 C39 N2 120.61(13) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.06(15) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.45(15) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.53(15) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.32(15) . . ?
C44 C43 H43 119.8 . . ?
C39 C44 H44 119.9 . . ?
C43 C44 C39 120.25(14) . . ?
C43 C44 H44 119.9 . . ?
C46 C45 N2 119.35(14) . . ?
C50 C45 N2 121.78(13) . . ?
C50 C45 C46 118.86(14) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.49(15) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.63(14) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 120.5 . . ?
C47 C48 C49 118.98(15) . . ?
C49 C48 H48 120.5 . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 120.99(17) . . ?
C50 C49 H49 119.5 . . ?
C45 C50 C49 120.03(15) . . ?
C45 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
