# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_123
_database_code_depnum_ccdc_archive 'CCDC 1910979'
loop_
_audit_author_name
_audit_author_address
oTPA-DPPZ
;Heilongjiang University
China
;
_audit_update_record             
;
2019-04-18 deposited with the CCDC.	2019-06-12 downloaded from the CCDC.
;
_audit_creation_date             2019-02-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            oTPA-DPPZ
_chemical_name_systematic        
4,4'-(dipyrido[3,2-a:2',3'-c]phenazine-11,12-diyl)bis(N,N-diphenylaniline)
_chemical_formula_moiety         'C54 H36 N6'
_chemical_formula_sum            'C54 H36 N6'
_chemical_formula_weight         768.89
_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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.5479(6)
_cell_length_b                   12.0028(7)
_cell_length_c                   19.1221(9)
_cell_angle_alpha                97.337(4)
_cell_angle_beta                 101.200(4)
_cell_angle_gamma                107.491(5)
_cell_volume                     2430.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.051
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             804
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21443
_diffrn_reflns_theta_full        29.20
_diffrn_reflns_theta_max         29.20
_diffrn_reflns_theta_min         2.94
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.841
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4551
_reflns_number_total             11066
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         3.854
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.216
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         11066
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3489
_refine_ls_R_factor_gt           0.2625
_refine_ls_restrained_S_all      2.017
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.6066
_refine_ls_wR_factor_ref         0.6488
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00G(H00G), C00J(H00J), C00L(H00L), C00N(H00N), C00O(H00O),
 C00Q(H00Q), C00S(H00S), C00T(H00T), C00X(H00X), C00Z(H00Z), C010(H010),
 C011(H011), C013(H013), C015(H015), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E),
 C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01N(H01N), C01P(H01P), C01Q(H01Q), C01R(H01R)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N001 N 0.7253(6) 0.3836(6) 0.4534(4) 0.0639(18) Uani 1 d . . .
N002 N 0.6719(7) 0.9334(7) 0.8649(3) 0.070(2) Uani 1 d . . .
N003 N 0.8996(6) 0.6162(6) 0.4939(3) 0.0585(17) Uani 1 d . . .
N005 N 0.2873(6) 0.3694(6) 0.7848(4) 0.072(2) Uani 1 d . . .
C006 C 0.7000(7) 0.7094(7) 0.6849(4) 0.0523(19) Uani 1 d . . .
C007 C 0.8067(7) 0.5783(7) 0.5289(4) 0.056(2) Uani 1 d . . .
N008 N 1.0875(9) 0.5290(9) 0.2994(4) 0.083(2) Uani 1 d . . .
C009 C 0.7081(7) 0.6223(7) 0.6253(4) 0.0529(19) Uani 1 d . . .
C00A C 0.5348(7) 0.4583(6) 0.6506(4) 0.0548(19) Uani 1 d . . .
C00B C 0.5958(7) 1.0076(7) 0.8554(4) 0.059(2) Uani 1 d . . .
C00C C 0.6236(7) 0.5040(7) 0.6067(4) 0.0531(19) Uani 1 d . . .
C00D C 0.7402(8) 0.9368(9) 0.9359(5) 0.067(2) Uani 1 d . . .
C00E C 0.8011(7) 0.7609(7) 0.7451(5) 0.060(2) Uani 1 d . . .
H00E H 0.8744 0.7432 0.7462 0.072 Uiso 1 calc . . R
N00F N 0.9218(8) 0.3036(10) 0.2611(5) 0.097(3) Uani 1 d . . .
C00G C 0.8022(7) 0.6592(7) 0.5877(4) 0.058(2) Uani 1 d . . .
H00G H 0.8605 0.7358 0.6015 0.070 Uiso 1 calc . . R
C00H C 0.9009(7) 0.5379(7) 0.4389(4) 0.0534(19) Uani 1 d . . .
C00I C 0.8158(8) 0.4209(8) 0.4182(4) 0.059(2) Uani 1 d . . .
C00J C 0.5837(7) 0.8113(7) 0.7435(4) 0.062(2) Uani 1 d . . .
H00J H 0.5111 0.8307 0.7413 0.074 Uiso 1 calc . . R
C00K C 0.7197(7) 0.4594(7) 0.5097(4) 0.0524(18) Uani 1 d . . .
C00L C 0.5772(8) 0.4789(8) 0.7269(5) 0.069(2) Uani 1 d . . .
H00L H 0.6621 0.5166 0.7484 0.083 Uiso 1 calc . . R
C00M C 0.6800(7) 0.8588(7) 0.8040(4) 0.0538(19) Uani 1 d . . .
C00N C 0.5909(8) 0.7360(7) 0.6862(4) 0.062(2) Uani 1 d . . .
H00N H 0.5213 0.7015 0.6470 0.075 Uiso 1 calc . . R
C00O C 0.6314(7) 0.4275(7) 0.5503(4) 0.0546(19) Uani 1 d . . .
H00O H 0.5750 0.3500 0.5382 0.066 Uiso 1 calc . . R
C00P C 0.3678(8) 0.3930(7) 0.7393(5) 0.064(2) Uani 1 d . . .
C00Q C 0.4972(8) 0.4451(8) 0.7701(5) 0.066(2) Uani 1 d . . .
H00Q H 0.5283 0.4567 0.8201 0.079 Uiso 1 calc . . R
C00R C 0.9955(7) 0.5760(7) 0.3971(4) 0.0548(19) Uani 1 d . . .
C00S C 0.7947(7) 0.8372(7) 0.8027(4) 0.056(2) Uani 1 d . . .
H00S H 0.8651 0.8750 0.8410 0.067 Uiso 1 calc . . R
C00T C 0.4112(8) 0.4015(8) 0.6213(5) 0.070(2) Uani 1 d . . .
H00T H 0.3814 0.3852 0.5710 0.084 Uiso 1 calc . . R
C00U C 1.0022(8) 0.4972(9) 0.3392(4) 0.065(2) Uani 1 d . . .
C00V C 0.9158(8) 0.3759(10) 0.3175(5) 0.074(3) Uani 1 d . . .
C00W C 0.8214(8) 0.3389(9) 0.3586(4) 0.067(2) Uani 1 d . . .
C00X C 0.3259(8) 0.3660(8) 0.6645(5) 0.065(2) Uani 1 d . . .
H00X H 0.2417 0.3246 0.6427 0.078 Uiso 1 calc . . R
C00Y C 0.1730(9) 0.2702(9) 0.7666(5) 0.073(2) Uani 1 d . . .
C00Z C 0.6009(8) 1.0754(8) 0.8026(5) 0.073(2) Uani 1 d . . .
H00Z H 0.6504 1.0712 0.7699 0.087 Uiso 1 calc . . R
C010 C 0.8062(8) 1.0497(9) 0.9795(5) 0.079(3) Uani 1 d . . .
H010 H 0.8057 1.1192 0.9631 0.095 Uiso 1 calc . . R
C011 C 0.5151(8) 1.0096(8) 0.9004(5) 0.070(2) Uani 1 d . . .
H011 H 0.5101 0.9603 0.9342 0.084 Uiso 1 calc . . R
C012 C 0.3111(8) 0.4654(9) 0.8449(6) 0.073(3) Uani 1 d . . .
C013 C 0.7383(9) 0.2151(9) 0.3399(5) 0.079(3) Uani 1 d . . .
H013 H 0.6808 0.1845 0.3664 0.095 Uiso 1 calc . . R
C015 C 1.0819(9) 0.6922(10) 0.4160(5) 0.082(3) Uani 1 d . . .
H015 H 1.0809 0.7468 0.4549 0.098 Uiso 1 calc . . R
C016 C 0.7501(11) 0.8393(11) 0.9593(7) 0.098(3) Uani 1 d . . .
H016 H 0.7067 0.7652 0.9291 0.118 Uiso 1 calc . . R
C017 C 0.8227(12) 0.8452(14) 1.0266(7) 0.106(4) Uani 1 d . . .
H017 H 0.8342 0.7767 1.0401 0.127 Uiso 1 calc . . R
C018 C 1.1686(11) 0.7229(11) 0.3749(7) 0.098(3) Uani 1 d . . .
H018 H 1.2259 0.7997 0.3842 0.118 Uiso 1 calc . . R
C019 C 0.5289(11) 1.1513(9) 0.7995(8) 0.107(4) Uani 1 d . . .
H019 H 0.5336 1.2000 0.7653 0.128 Uiso 1 calc . . R
C01A C 0.4434(9) 1.0809(13) 0.8968(6) 0.100(4) Uani 1 d . . .
H01A H 0.3897 1.0808 0.9273 0.120 Uiso 1 calc . . R
C01B C 0.4533(11) 1.1560(11) 0.8446(7) 0.100(4) Uani 1 d . . .
H01B H 0.4078 1.2080 0.8416 0.120 Uiso 1 calc . . R
C01C C 0.8808(10) 0.9587(14) 1.0762(6) 0.099(4) Uani 1 d . . .
H01C H 0.9212 0.9649 1.1243 0.119 Uiso 1 calc . . R
C01D C 1.1677(11) 0.6387(12) 0.3211(6) 0.084(3) Uani 1 d . . .
H01D H 1.2305 0.6600 0.2964 0.101 Uiso 1 calc . . R
C01E C 0.1636(10) 0.1659(9) 0.7286(7) 0.093(3) Uani 1 d . . .
H01E H 0.2305 0.1538 0.7124 0.111 Uiso 1 calc . . R
C01F C 0.7512(11) 0.1465(13) 0.2799(7) 0.114(4) Uani 1 d . . .
H01F H 0.6966 0.0686 0.2631 0.136 Uiso 1 calc . . R
C01G C 0.0693(9) 0.2848(10) 0.7935(7) 0.097(3) Uani 1 d . . .
H01G H 0.0741 0.3572 0.8202 0.116 Uiso 1 calc . . R
C01H C 0.8737(10) 1.0518(12) 1.0502(6) 0.093(3) Uani 1 d . . .
H01H H 0.9164 1.1259 1.0805 0.111 Uiso 1 calc . . R
C01I C 0.8440(12) 0.1912(12) 0.2440(6) 0.100(4) Uani 1 d . . .
H01I H 0.8521 0.1397 0.2061 0.120 Uiso 1 calc . . R
C01J C 0.0465(16) 0.0742(11) 0.7141(7) 0.113(4) Uani 1 d . . .
H01J H 0.0408 0.0020 0.6867 0.136 Uiso 1 calc . . R
C01K C 0.3164(12) 0.5783(12) 0.8288(8) 0.115(4) Uani 1 d . . .
H01K H 0.3086 0.5943 0.7821 0.138 Uiso 1 calc . . R
C01L C -0.0493(14) 0.0770(13) 0.7329(8) 0.107(4) Uani 1 d . . .
H01L H -0.1235 0.0124 0.7187 0.129 Uiso 1 calc . . R
C01M C -0.0384(11) 0.1852(18) 0.7775(11) 0.147(7) Uani 1 d . . .
H01M H -0.1054 0.1897 0.7966 0.177 Uiso 1 calc . . R
C01N C 0.3285(14) 0.4457(17) 0.9135(9) 0.138(5) Uani 1 d . . .
H01N H 0.3305 0.3699 0.9179 0.166 Uiso 1 calc . . R
C01P C 0.343(3) 0.516(3) 0.9744(14) 0.29(2) Uani 1 d . . .
H01P H 0.3497 0.4927 1.0191 0.351 Uiso 1 calc . . R
C01Q C 0.3475(16) 0.633(3) 0.9656(10) 0.190(13) Uani 1 d . . .
H01Q H 0.3584 0.6906 1.0061 0.229 Uiso 1 calc . . R
C01R C 0.3350(15) 0.6647(13) 0.8918(16) 0.191(11) Uani 1 d . . .
H01R H 0.3394 0.7419 0.8872 0.229 Uiso 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
N001 C00I 1.346(11) . ?
N001 C00K 1.343(9) . ?
N002 C00B 1.432(10) . ?
N002 C00D 1.420(10) . ?
N002 C00M 1.412(9) . ?
N003 C007 1.367(10) . ?
N003 C00H 1.323(9) . ?
N005 C00P 1.385(11) . ?
N005 C00Y 1.433(11) . ?
N005 C012 1.440(11) . ?
C006 C009 1.483(9) . ?
C006 C00E 1.390(11) . ?
C006 C00N 1.394(10) . ?
C007 C00G 1.408(10) . ?
C007 C00K 1.429(11) . ?
N008 C00U 1.354(12) . ?
N008 C01D 1.320(14) . ?
C009 C00C 1.413(11) . ?
C009 C00G 1.410(11) . ?
C00A C00C 1.474(11) . ?
C00A C00L 1.410(11) . ?
C00A C00T 1.350(11) . ?
C00B C00Z 1.375(13) . ?
C00B C011 1.387(11) . ?
C00C C00O 1.360(10) . ?
C00D C010 1.399(13) . ?
C00D C016 1.332(14) . ?
C00E H00E 0.9300 . ?
C00E C00S 1.368(10) . ?
N00F C00V 1.323(11) . ?
N00F C01I 1.334(15) . ?
C00G H00G 0.9300 . ?
C00H C00I 1.404(12) . ?
C00H C00R 1.475(11) . ?
C00I C00W 1.433(10) . ?
C00J H00J 0.9300 . ?
C00J C00M 1.360(11) . ?
C00J C00N 1.361(11) . ?
C00K C00O 1.391(11) . ?
C00L H00L 0.9300 . ?
C00L C00Q 1.362(12) . ?
C00M C00S 1.428(10) . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00P C00Q 1.405(11) . ?
C00P C00X 1.380(12) . ?
C00Q H00Q 0.9300 . ?
C00R C00U 1.392(11) . ?
C00R C015 1.402(13) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C00X 1.410(12) . ?
C00U C00V 1.449(14) . ?
C00V C00W 1.461(13) . ?
C00W C013 1.460(14) . ?
C00X H00X 0.9300 . ?
C00Y C01E 1.327(13) . ?
C00Y C01G 1.439(14) . ?
C00Z H00Z 0.9300 . ?
C00Z C019 1.405(14) . ?
C010 H010 0.9300 . ?
C010 C01H 1.417(14) . ?
C011 H011 0.9300 . ?
C011 C01A 1.357(14) . ?
C012 C01K 1.414(17) . ?
C012 C01N 1.350(17) . ?
C013 H013 0.9300 . ?
C013 C01F 1.383(13) . ?
C015 H015 0.9300 . ?
C015 C018 1.384(14) . ?
C016 H016 0.9300 . ?
C016 C017 1.374(16) . ?
C017 H017 0.9300 . ?
C017 C01C 1.443(18) . ?
C018 H018 0.9300 . ?
C018 C01D 1.343(15) . ?
C019 H019 0.9300 . ?
C019 C01B 1.348(17) . ?
C01A H01A 0.9300 . ?
C01A C01B 1.427(18) . ?
C01B H01B 0.9300 . ?
C01C H01C 0.9300 . ?
C01C C01H 1.297(16) . ?
C01D H01D 0.9300 . ?
C01E H01E 0.9300 . ?
C01E C01J 1.414(17) . ?
C01F H01F 0.9300 . ?
C01F C01I 1.393(18) . ?
C01G H01G 0.9300 . ?
C01G C01M 1.392(18) . ?
C01H H01H 0.9300 . ?
C01I H01I 0.9300 . ?
C01J H01J 0.9300 . ?
C01J C01L 1.236(17) . ?
C01K H01K 0.9300 . ?
C01K C01R 1.42(2) . ?
C01L H01L 0.9300 . ?
C01L C01M 1.42(2) . ?
C01M H01M 0.9300 . ?
C01N H01N 0.9300 . ?
C01N C01P 1.30(3) . ?
C01P H01P 0.9300 . ?
C01P C01Q 1.42(4) . ?
C01Q H01Q 0.9300 . ?
C01Q C01R 1.50(3) . ?
C01R H01R 0.9300 . ?

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
C00K N001 C00I 118.8(7) . . ?
C00D N002 C00B 119.4(6) . . ?
C00M N002 C00B 120.1(6) . . ?
C00M N002 C00D 120.5(6) . . ?
C00H N003 C007 116.0(7) . . ?
C00P N005 C00Y 123.5(7) . . ?
C00P N005 C012 114.9(7) . . ?
C00Y N005 C012 120.3(7) . . ?
C00E C006 C009 119.6(6) . . ?
C00E C006 C00N 117.5(6) . . ?
C00N C006 C009 122.7(7) . . ?
N003 C007 C00G 117.7(7) . . ?
N003 C007 C00K 122.1(7) . . ?
C00G C007 C00K 120.1(7) . . ?
C01D N008 C00U 115.5(8) . . ?
C00C C009 C006 120.6(7) . . ?
C00G C009 C006 118.9(7) . . ?
C00G C009 C00C 120.5(6) . . ?
C00L C00A C00C 119.8(7) . . ?
C00T C00A C00C 122.8(7) . . ?
C00T C00A C00L 117.4(8) . . ?
C00Z C00B N002 121.2(7) . . ?
C00Z C00B C011 120.1(8) . . ?
C011 C00B N002 118.8(8) . . ?
C009 C00C C00A 121.9(7) . . ?
C00O C00C C009 119.0(7) . . ?
C00O C00C C00A 118.9(7) . . ?
C010 C00D N002 116.6(9) . . ?
C016 C00D N002 122.9(9) . . ?
C016 C00D C010 120.4(9) . . ?
C006 C00E H00E 119.4 . . ?
C00S C00E C006 121.2(7) . . ?
C00S C00E H00E 119.4 . . ?
C00V N00F C01I 118.7(10) . . ?
C007 C00G C009 119.0(7) . . ?
C007 C00G H00G 120.5 . . ?
C009 C00G H00G 120.5 . . ?
N003 C00H C00I 123.1(7) . . ?
N003 C00H C00R 118.3(7) . . ?
C00I C00H C00R 118.6(7) . . ?
N001 C00I C00H 120.6(6) . . ?
N001 C00I C00W 118.3(8) . . ?
C00H C00I C00W 121.1(8) . . ?
C00M C00J H00J 119.2 . . ?
C00N C00J H00J 119.2 . . ?
C00N C00J C00M 121.7(7) . . ?
N001 C00K C007 119.2(7) . . ?
N001 C00K C00O 122.7(7) . . ?
C00O C00K C007 118.1(6) . . ?
C00A C00L H00L 119.1 . . ?
C00Q C00L C00A 121.9(8) . . ?
C00Q C00L H00L 119.1 . . ?
N002 C00M C00S 120.0(7) . . ?
C00J C00M N002 122.2(7) . . ?
C00J C00M C00S 117.7(6) . . ?
C006 C00N H00N 119.2 . . ?
C00J C00N C006 121.5(7) . . ?
C00J C00N H00N 119.2 . . ?
C00C C00O C00K 123.2(7) . . ?
C00C C00O H00O 118.4 . . ?
C00K C00O H00O 118.4 . . ?
N005 C00P C00Q 119.1(8) . . ?
C00X C00P N005 122.5(7) . . ?
C00X C00P C00Q 118.4(8) . . ?
C00L C00Q C00P 120.2(8) . . ?
C00L C00Q H00Q 119.9 . . ?
C00P C00Q H00Q 119.9 . . ?
C00U C00R C00H 120.9(8) . . ?
C00U C00R C015 118.8(8) . . ?
C015 C00R C00H 120.3(7) . . ?
C00E C00S C00M 120.0(7) . . ?
C00E C00S H00S 120.0 . . ?
C00M C00S H00S 120.0 . . ?
C00A C00T H00T 118.9 . . ?
C00A C00T C00X 122.1(8) . . ?
C00X C00T H00T 118.9 . . ?
N008 C00U C00R 122.6(9) . . ?
N008 C00U C00V 116.2(8) . . ?
C00R C00U C00V 121.2(8) . . ?
N00F C00V C00U 120.1(9) . . ?
N00F C00V C00W 122.1(10) . . ?
C00U C00V C00W 117.8(7) . . ?
C00I C00W C00V 120.4(8) . . ?
C00I C00W C013 121.3(8) . . ?
C013 C00W C00V 118.2(7) . . ?
C00P C00X C00T 119.7(8) . . ?
C00P C00X H00X 120.1 . . ?
C00T C00X H00X 120.1 . . ?
N005 C00Y C01G 118.1(9) . . ?
C01E C00Y N005 121.4(9) . . ?
C01E C00Y C01G 120.4(9) . . ?
C00B C00Z H00Z 121.1 . . ?
C00B C00Z C019 117.7(10) . . ?
C019 C00Z H00Z 121.1 . . ?
C00D C010 H010 122.0 . . ?
C00D C010 C01H 116.0(10) . . ?
C01H C010 H010 122.0 . . ?
C00B C011 H011 118.7 . . ?
C01A C011 C00B 122.5(10) . . ?
C01A C011 H011 118.7 . . ?
C01K C012 N005 117.5(10) . . ?
C01N C012 N005 119.8(12) . . ?
C01N C012 C01K 122.7(12) . . ?
C00W C013 H013 122.3 . . ?
C01F C013 C00W 115.3(11) . . ?
C01F C013 H013 122.3 . . ?
C00R C015 H015 121.1 . . ?
C018 C015 C00R 117.7(9) . . ?
C018 C015 H015 121.1 . . ?
C00D C016 H016 119.0 . . ?
C00D C016 C017 121.9(12) . . ?
C017 C016 H016 119.0 . . ?
C016 C017 H017 120.4 . . ?
C016 C017 C01C 119.2(12) . . ?
C01C C017 H017 120.4 . . ?
C015 C018 H018 120.9 . . ?
C01D C018 C015 118.2(11) . . ?
C01D C018 H018 120.9 . . ?
C00Z C019 H019 118.9 . . ?
C01B C019 C00Z 122.2(12) . . ?
C01B C019 H019 118.9 . . ?
C011 C01A H01A 121.2 . . ?
C011 C01A C01B 117.5(10) . . ?
C01B C01A H01A 121.2 . . ?
C019 C01B C01A 119.9(10) . . ?
C019 C01B H01B 120.1 . . ?
C01A C01B H01B 120.1 . . ?
C017 C01C H01C 121.7 . . ?
C01H C01C C017 116.5(11) . . ?
C01H C01C H01C 121.7 . . ?
N008 C01D C018 127.1(10) . . ?
N008 C01D H01D 116.5 . . ?
C018 C01D H01D 116.5 . . ?
C00Y C01E H01E 121.7 . . ?
C00Y C01E C01J 116.6(12) . . ?
C01J C01E H01E 121.7 . . ?
C013 C01F H01F 119.2 . . ?
C013 C01F C01I 121.6(12) . . ?
C01I C01F H01F 119.2 . . ?
C00Y C01G H01G 121.7 . . ?
C01M C01G C00Y 116.6(14) . . ?
C01M C01G H01G 121.7 . . ?
C010 C01H H01H 117.3 . . ?
C01C C01H C010 125.4(11) . . ?
C01C C01H H01H 117.3 . . ?
N00F C01I C01F 123.8(9) . . ?
N00F C01I H01I 118.1 . . ?
C01F C01I H01I 118.1 . . ?
C01E C01J H01J 115.6 . . ?
C01L C01J C01E 128.7(15) . . ?
C01L C01J H01J 115.6 . . ?
C012 C01K H01K 123.7 . . ?
C012 C01K C01R 112.6(16) . . ?
C01R C01K H01K 123.7 . . ?
C01J C01L H01L 122.3 . . ?
C01J C01L C01M 115.5(14) . . ?
C01M C01L H01L 122.3 . . ?
C01G C01M C01L 122.0(15) . . ?
C01G C01M H01M 119.0 . . ?
C01L C01M H01M 119.0 . . ?
C012 C01N H01N 115.0 . . ?
C01P C01N C012 130(2) . . ?
C01P C01N H01N 115.0 . . ?
C01N C01P H01P 123.5 . . ?
C01N C01P C01Q 113(3) . . ?
C01Q C01P H01P 123.5 . . ?
C01P C01Q H01Q 119.7 . . ?
C01P C01Q C01R 120.7(19) . . ?
C01R C01Q H01Q 119.6 . . ?
C01K C01R C01Q 121.0(18) . . ?
C01K C01R H01R 119.5 . . ?
C01Q C01R H01R 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
