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

data_20201116al_0m_a_sq
_audit_block_doi                 10.5517/ccdc.csd.cc29dr0h
_database_code_depnum_ccdc_archive 'CCDC 2127406'
loop_
_audit_author_name
_audit_author_address
MAPCI
;BIT
China
;
_audit_update_record             
;
2021-12-09 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
_audit_creation_date             2020-11-16
_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         'C48 H38 N6 O'
_chemical_formula_sum            'C48 H38 N6 O'
_chemical_formula_weight         714.84
_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 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.1467(15)
_cell_length_b                   14.4007(13)
_cell_length_c                   32.924(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.169(3)
_cell_angle_gamma                90
_cell_volume                     8569.0(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      54.571
_cell_measurement_theta_min      3.414
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.338
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.5582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1113 before and 0.0604 after correction. The Ratio of minimum to maximum transmission is 0.7435. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.108
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            33747
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.946
_diffrn_reflns_theta_min         3.414
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5440
_reflns_number_total             8102
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.00090(10)
_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   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         8102
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.038
_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)+(0.0945P)²+2.4940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1704
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C14(H14), C17(H17), C18(H18), C20(H20), C21(H21),
 C25(H25), C26(H26), C28(H28), C29(H29), C33(H33), C34(H34), C36(H36), C37(H37),
  C42(H42), C43(H43), C45(H45), C46(H46), C47(H47)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_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 0.54584(8) 0.87398(9) 0.46916(3) 0.0506(4) Uani 1 1 d . . . . .
N1 N 0.47539(12) 0.79832(14) 0.32982(5) 0.0654(5) Uani 1 1 d . . . . .
N2 N 0.60351(12) 1.01979(14) 0.39495(5) 0.0667(5) Uani 1 1 d . . . . .
N3 N 0.42982(16) 0.61875(17) 0.39704(6) 0.0946(8) Uani 1 1 d . . . . .
N4 N 0.38936(9) 0.51037(11) 0.62680(4) 0.0421(4) Uani 1 1 d . . . . .
N5 N 0.19725(11) 0.12542(13) 0.58830(5) 0.0638(5) Uani 1 1 d . . . . .
N6 N 0.58131(12) 0.84408(15) 0.72381(6) 0.0772(6) Uani 1 1 d . . . . .
C1 C 0.56968(13) 0.95221(15) 0.39614(5) 0.0518(5) Uani 1 1 d . . . . .
C2 C 0.49888(12) 0.82834(14) 0.36071(6) 0.0518(5) Uani 1 1 d . . . . .
C3 C 0.52857(12) 0.86860(13) 0.39793(5) 0.0473(5) Uani 1 1 d . . . . .
C4 C 0.51849(11) 0.82935(13) 0.43519(5) 0.0456(5) Uani 1 1 d . . . . .
C5 C 0.48351(11) 0.74555(13) 0.44592(5) 0.0446(5) Uani 1 1 d . . . . .
C6 C 0.45330(14) 0.67688(16) 0.41817(6) 0.0608(6) Uani 1 1 d . . . . .
C7 C 0.48575(11) 0.73837(13) 0.48785(5) 0.0445(5) Uani 1 1 d . . . . .
C8 C 0.52580(13) 0.82340(13) 0.50594(5) 0.0504(5) Uani 1 1 d . . . . .
C008 C 0.42560(11) 0.58900(13) 0.61635(5) 0.0419(4) Uani 1 1 d . . . . .
C9 C 0.59792(13) 0.80341(16) 0.53122(6) 0.0607(6) Uani 1 1 d . . . . .
H9A H 0.587478 0.776899 0.557512 0.091 Uiso 1 1 calc GR . . . .
H9B H 0.625885 0.861248 0.535818 0.091 Uiso 1 1 calc GR . . . .
H9C H 0.627068 0.759146 0.516699 0.091 Uiso 1 1 calc GR . . . .
C10 C 0.47667(17) 0.88865(16) 0.52764(7) 0.0758(8) Uani 1 1 d . . . . .
H10A H 0.463141 0.859337 0.552781 0.114 Uiso 1 1 calc GR . . . .
H10B H 0.431752 0.902161 0.509811 0.114 Uiso 1 1 calc GR . . . .
H10C H 0.503375 0.946592 0.534326 0.114 Uiso 1 1 calc GR . . . .
C11 C 0.45507(12) 0.66559(14) 0.50960(5) 0.0474(5) Uani 1 1 d . . . . .
H11 H 0.431521 0.616464 0.494158 0.057 Uiso 1 1 calc R . . . .
C12 C 0.45656(11) 0.66020(14) 0.55104(5) 0.0461(5) Uani 1 1 d . . . . .
H12 H 0.483006 0.707500 0.566271 0.055 Uiso 1 1 calc R . . . .
C13 C 0.42255(11) 0.59097(13) 0.57360(5) 0.0451(5) Uani 1 1 d . . . . .
C14 C 0.38261(12) 0.51060(14) 0.55906(5) 0.0483(5) Uani 1 1 d . . . . .
H14 H 0.372005 0.493924 0.531225 0.058 Uiso 1 1 calc R . . . .
C15 C 0.36210(11) 0.46157(13) 0.59163(5) 0.0441(5) Uani 1 1 d . . . . .
C16 C 0.31957(11) 0.37530(13) 0.59254(5) 0.0447(5) Uani 1 1 d . . . . .
C17 C 0.32874(12) 0.30722(14) 0.56347(6) 0.0488(5) Uani 1 1 d . . . . .
H17 H 0.363554 0.317600 0.544066 0.059 Uiso 1 1 calc R . . . .
C18 C 0.28929(12) 0.22519(14) 0.56170(6) 0.0518(5) Uani 1 1 d . . . . .
H18 H 0.297318 0.180796 0.541212 0.062 Uiso 1 1 calc R . . . .
C19 C 0.23755(12) 0.20662(14) 0.58973(6) 0.0503(5) Uani 1 1 d . . . . .
C20 C 0.22712(12) 0.27524(15) 0.61886(6) 0.0554(5) Uani 1 1 d . . . . .
H20 H 0.192082 0.265251 0.638184 0.066 Uiso 1 1 calc R . . . .
C21 C 0.26690(12) 0.35712(15) 0.61997(6) 0.0517(5) Uani 1 1 d . . . . .
H21 H 0.258194 0.402416 0.639964 0.062 Uiso 1 1 calc R . . . .
C22 C 0.20738(16) 0.05676(17) 0.55761(8) 0.0753(7) Uani 1 1 d . . . . .
H22A H 0.174690 0.003798 0.561203 0.113 Uiso 1 1 calc GR . . . .
H22B H 0.258961 0.035768 0.560172 0.113 Uiso 1 1 calc GR . . . .
H22C H 0.195401 0.083916 0.530524 0.113 Uiso 1 1 calc GR . . . .
C23 C 0.13711(14) 0.11432(17) 0.61407(7) 0.0664(6) Uani 1 1 d . . . . .
H23A H 0.113306 0.053949 0.608631 0.100 Uiso 1 1 calc GR . . . .
H23B H 0.100750 0.163954 0.608221 0.100 Uiso 1 1 calc GR . . . .
H23C H 0.156620 0.117544 0.642775 0.100 Uiso 1 1 calc GR . . . .
C24 C 0.46170(11) 0.65361(13) 0.64607(5) 0.0445(5) Uani 1 1 d . . . . .
C25 C 0.45191(12) 0.74917(14) 0.64144(5) 0.0491(5) Uani 1 1 d . . . . .
H25 H 0.417509 0.771612 0.620252 0.059 Uiso 1 1 calc R . . . .
C26 C 0.49058(13) 0.81200(15) 0.66665(6) 0.0555(5) Uani 1 1 d . . . . .
H26 H 0.482571 0.876603 0.662408 0.067 Uiso 1 1 calc R . . . .
C27 C 0.54183(13) 0.78206(15) 0.69863(6) 0.0563(6) Uani 1 1 d . . . . .
C28 C 0.54964(13) 0.68596(15) 0.70415(6) 0.0550(6) Uani 1 1 d . . . . .
H28 H 0.582509 0.663143 0.725970 0.066 Uiso 1 1 calc R . . . .
C29 C 0.51079(12) 0.62392(14) 0.67868(5) 0.0500(5) Uani 1 1 d . . . . .
H29 H 0.517462 0.559244 0.683356 0.060 Uiso 1 1 calc R . . . .
C30 C 0.5785(2) 0.9420(2) 0.71412(11) 0.1069(11) Uani 1 1 d . . . . .
H30A H 0.605374 0.977045 0.736246 0.160 Uiso 1 1 calc GR . . . .
H30B H 0.526794 0.962505 0.710861 0.160 Uiso 1 1 calc GR . . . .
H30C H 0.601327 0.952699 0.688672 0.160 Uiso 1 1 calc GR . . . .
C31 C 0.64031(17) 0.8114(2) 0.75307(8) 0.0897(9) Uani 1 1 d . . . . .
H31A H 0.658872 0.863220 0.770379 0.135 Uiso 1 1 calc GR . . . .
H31B H 0.680639 0.786253 0.738497 0.135 Uiso 1 1 calc GR . . . .
H31C H 0.621213 0.762706 0.770078 0.135 Uiso 1 1 calc GR . . . .
C32 C 0.38099(11) 0.48124(12) 0.66797(5) 0.0399(4) Uani 1 1 d . . . . .
C33 C 0.42169(11) 0.40610(13) 0.68348(5) 0.0456(5) Uani 1 1 d . . . . .
H33 H 0.454570 0.374969 0.667189 0.055 Uiso 1 1 calc R . . . .
C34 C 0.41428(12) 0.37647(14) 0.72288(6) 0.0489(5) Uani 1 1 d . . . . .
H34 H 0.442374 0.324797 0.733432 0.059 Uiso 1 1 calc R . . . .
C35 C 0.36655(11) 0.42082(13) 0.74732(5) 0.0443(5) Uani 1 1 d . . . . .
C36 C 0.35793(13) 0.39310(15) 0.78863(6) 0.0552(6) Uani 1 1 d . . . . .
H36 H 0.387592 0.344051 0.800453 0.066 Uiso 1 1 calc R . . . .
C37 C 0.30885(14) 0.43498(17) 0.81093(6) 0.0623(6) Uani 1 1 d . . . . .
H37 H 0.304858 0.414824 0.838123 0.075 Uiso 1 1 calc R . . . .
C38 C 0.26253(13) 0.50911(16) 0.79471(5) 0.0554(6) Uani 1 1 d . . . . .
C39 C 0.27074(12) 0.54023(14) 0.75460(5) 0.0468(5) Uani 1 1 d . . . . .
C40 C 0.32309(11) 0.49657(13) 0.73089(5) 0.0406(4) Uani 1 1 d . . . . .
C41 C 0.33083(10) 0.52766(12) 0.69058(5) 0.0396(4) Uani 1 1 d . . . . .
C42 C 0.28466(12) 0.60299(13) 0.67463(6) 0.0495(5) Uani 1 1 d . . . . .
H42 H 0.289762 0.624984 0.647821 0.059 Uiso 1 1 calc R . . . .
C43 C 0.23468(13) 0.64280(15) 0.69668(6) 0.0588(6) Uani 1 1 d . . . . .
H43 H 0.204384 0.691348 0.684924 0.071 Uiso 1 1 calc R . . . .
C44 C 0.22594(13) 0.61372(14) 0.73760(6) 0.0545(5) Uani 1 1 d . . . . .
C45 C 0.17451(15) 0.65434(18) 0.76098(8) 0.0725(7) Uani 1 1 d . . . . .
H45 H 0.144051 0.703447 0.749888 0.087 Uiso 1 1 calc R . . . .
C46 C 0.16736(16) 0.6237(2) 0.80036(8) 0.0808(8) Uani 1 1 d . . . . .
H46 H 0.132426 0.652634 0.816077 0.097 Uiso 1 1 calc R . . . .
C47 C 0.20991(15) 0.5524(2) 0.81689(7) 0.0725(7) Uani 1 1 d . . . . .
H47 H 0.203662 0.531958 0.843805 0.087 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
O1 C4 1.346(2) . ?
O1 C8 1.486(2) . ?
N1 C2 1.151(3) . ?
N2 C1 1.153(3) . ?
N3 C6 1.146(3) . ?
N4 C008 1.369(2) . ?
N4 C15 1.406(2) . ?
N4 C32 1.440(2) . ?
N5 C19 1.378(3) . ?
N5 C22 1.437(3) . ?
N5 C23 1.450(3) . ?
N6 C27 1.375(3) . ?
N6 C30 1.445(4) . ?
N6 C31 1.453(3) . ?
C1 C3 1.421(3) . ?
C2 C3 1.417(3) . ?
C3 C4 1.378(2) . ?
C4 C5 1.423(3) . ?
C5 C6 1.422(3) . ?
C5 C7 1.381(2) . ?
C7 C8 1.518(3) . ?
C7 C11 1.412(3) . ?
C8 C9 1.514(3) . ?
C8 C10 1.518(3) . ?
C008 C13 1.404(2) . ?
C008 C24 1.462(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C12 1.364(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.417(3) . ?
C13 C14 1.425(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.364(3) . ?
C15 C16 1.464(3) . ?
C16 C17 1.390(3) . ?
C16 C21 1.398(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.400(3) . ?
C19 C20 1.402(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(3) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.394(3) . ?
C24 C29 1.399(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.377(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.408(3) . ?
C27 C28 1.401(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.375(3) . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.382(3) . ?
C32 C41 1.397(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.384(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.390(3) . ?
C35 C36 1.440(2) . ?
C35 C40 1.424(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.347(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.432(3) . ?
C38 C39 1.415(3) . ?
C38 C47 1.400(3) . ?
C39 C40 1.429(3) . ?
C39 C44 1.418(3) . ?
C40 C41 1.419(2) . ?
C41 C42 1.441(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.341(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.433(3) . ?
C44 C45 1.391(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.387(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.368(4) . ?
C47 H47 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
C4 O1 C8 110.14(14) . . ?
C008 N4 C15 110.35(14) . . ?
C008 N4 C32 124.85(14) . . ?
C15 N4 C32 124.79(15) . . ?
C19 N5 C22 120.45(19) . . ?
C19 N5 C23 119.91(19) . . ?
C22 N5 C23 119.08(19) . . ?
C27 N6 C30 119.6(2) . . ?
C27 N6 C31 120.2(2) . . ?
C30 N6 C31 118.2(2) . . ?
N2 C1 C3 179.4(3) . . ?
N1 C2 C3 177.7(2) . . ?
C2 C3 C1 118.10(16) . . ?
C4 C3 C1 119.80(17) . . ?
C4 C3 C2 122.10(19) . . ?
O1 C4 C3 118.40(18) . . ?
O1 C4 C5 109.76(14) . . ?
C3 C4 C5 131.84(17) . . ?
C6 C5 C4 125.79(16) . . ?
C7 C5 C4 109.76(16) . . ?
C7 C5 C6 124.40(17) . . ?
N3 C6 C5 177.1(2) . . ?
C5 C7 C8 107.56(16) . . ?
C5 C7 C11 125.80(18) . . ?
C11 C7 C8 126.63(15) . . ?
O1 C8 C7 102.66(13) . . ?
O1 C8 C9 106.16(17) . . ?
O1 C8 C10 106.10(16) . . ?
C9 C8 C7 114.96(17) . . ?
C9 C8 C10 111.99(18) . . ?
C10 C8 C7 113.79(19) . . ?
N4 C008 C13 107.00(15) . . ?
N4 C008 C24 123.69(15) . . ?
C13 C008 C24 129.28(17) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11 117.4 . . ?
C12 C11 C7 125.19(18) . . ?
C12 C11 H11 117.4 . . ?
C11 C12 H12 116.8 . . ?
C11 C12 C13 126.42(18) . . ?
C13 C12 H12 116.8 . . ?
C008 C13 C12 124.05(17) . . ?
C008 C13 C14 107.06(16) . . ?
C12 C13 C14 128.85(16) . . ?
C13 C14 H14 125.6 . . ?
C15 C14 C13 108.83(16) . . ?
C15 C14 H14 125.6 . . ?
N4 C15 C16 123.67(15) . . ?
C14 C15 N4 106.76(16) . . ?
C14 C15 C16 129.57(16) . . ?
C17 C16 C15 119.22(17) . . ?
C17 C16 C21 116.36(18) . . ?
C21 C16 C15 124.37(17) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 C16 122.62(19) . . ?
C18 C17 H17 118.7 . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.77(19) . . ?
C19 C18 H18 119.6 . . ?
N5 C19 C18 121.66(19) . . ?
N5 C19 C20 121.2(2) . . ?
C18 C19 C20 117.14(19) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.2(2) . . ?
C21 C20 H20 119.4 . . ?
C16 C21 H21 119.0 . . ?
C20 C21 C16 121.94(19) . . ?
C20 C21 H21 119.0 . . ?
N5 C22 H22A 109.5 . . ?
N5 C22 H22B 109.5 . . ?
N5 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C008 120.68(17) . . ?
C25 C24 C29 116.84(18) . . ?
C29 C24 C008 122.36(18) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 122.00(18) . . ?
C26 C25 H25 119.0 . . ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 121.07(19) . . ?
C27 C26 H26 119.5 . . ?
N6 C27 C26 121.7(2) . . ?
N6 C27 C28 121.5(2) . . ?
C28 C27 C26 116.85(19) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 C27 121.47(19) . . ?
C29 C28 H28 119.3 . . ?
C24 C29 H29 119.1 . . ?
C28 C29 C24 121.70(19) . . ?
C28 C29 H29 119.1 . . ?
N6 C30 H30A 109.5 . . ?
N6 C30 H30B 109.5 . . ?
N6 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N6 C31 H31A 109.5 . . ?
N6 C31 H31B 109.5 . . ?
N6 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 N4 118.55(16) . . ?
C33 C32 C41 122.00(16) . . ?
C41 C32 N4 119.42(16) . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.62(19) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 H34 119.4 . . ?
C33 C34 C35 121.29(18) . . ?
C35 C34 H34 119.4 . . ?
C34 C35 C36 123.11(19) . . ?
C34 C35 C40 119.01(16) . . ?
C40 C35 C36 117.88(19) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.6(2) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 H37 119.2 . . ?
C36 C37 C38 121.68(18) . . ?
C38 C37 H37 119.2 . . ?
C39 C38 C37 118.5(2) . . ?
C47 C38 C37 122.8(2) . . ?
C47 C38 C39 118.7(2) . . ?
C38 C39 C40 120.12(19) . . ?
C38 C39 C44 119.98(19) . . ?
C44 C39 C40 119.89(16) . . ?
C35 C40 C39 120.16(16) . . ?
C41 C40 C35 119.91(17) . . ?
C41 C40 C39 119.92(17) . . ?
C32 C41 C40 118.12(16) . . ?
C32 C41 C42 123.46(15) . . ?
C40 C41 C42 118.37(17) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.61(18) . . ?
C43 C42 H42 119.2 . . ?
C42 C43 H43 119.3 . . ?
C42 C43 C44 121.4(2) . . ?
C44 C43 H43 119.3 . . ?
C39 C44 C43 118.74(19) . . ?
C45 C44 C39 119.0(2) . . ?
C45 C44 C43 122.3(2) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.5(3) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 119.5 . . ?
C47 C46 C45 120.9(2) . . ?
C47 C46 H46 119.5 . . ?
C38 C47 H47 119.5 . . ?
C46 C47 C38 120.9(2) . . ?
C46 C47 H47 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
