# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_cu_0113_12_0m
_database_code_depnum_ccdc_archive 'CCDC 2014011'
loop_
_audit_author_name
_audit_author_address
CDP
;Sichuan University
China
;
_audit_update_record             
;
2020-07-04 deposited with the CCDC.	2021-07-12 downloaded from the CCDC.
;
_audit_creation_date             2020-01-14
_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         'C53 H50 N6'
_chemical_formula_sum            'C53 H50 N6'
_chemical_formula_weight         770.99
_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'

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

_cell_length_a                   9.1867(2)
_cell_length_b                   15.7160(4)
_cell_length_c                   16.2136(4)
_cell_angle_alpha                66.9530(10)
_cell_angle_beta                 83.8400(10)
_cell_angle_gamma                78.7110(10)
_cell_volume                     2111.15(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9812
_cell_measurement_temperature    152(2)
_cell_measurement_theta_max      77.37
_cell_measurement_theta_min      2.96
_shelx_estimated_absorpt_T_max   0.937
_shelx_estimated_absorpt_T_min   0.897
_exptl_absorpt_coefficient_mu    0.553
_exptl_absorpt_correction_T_max  0.0901
_exptl_absorpt_correction_T_min  0.0113
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1207 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.1254.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            77546
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         79.361
_diffrn_reflns_theta_min         2.964
_diffrn_ambient_temperature      152.21
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6846
_reflns_number_total             9015
_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       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         0.326
_refine_diff_density_min         -0.171
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         9015
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0706
_refine_ls_restrained_S_all      1.039
_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)+(0.0975P)²+0.6748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.1988
_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 Secondary CH2 refined with riding coordinates:
 C00Z(H00A,H00B), C011(H01A,H01B), C012(H01C,H01D), C013(H01E,H01F), C01C(H01I,
 H01J), C01G(H01N,H01O), C01H(H01P,H01Q), C01I(H01R,H01S), C01J(H01T,H01U),
 C01K(H01V,H01W), C01M(H01Y,H)
2.b Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00F(H00F), C00J(H00J), C00K(H00K), C00P(H00P), C00R(H00R),
 C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y),
 C010(H010), C014(H014), C015(H015), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01G), C01B(H01H), C01D(H01K), C01E(H01L), C01F(H01M),
 C01L(H01X)
2.c Idealised Me refined as rotating group:
 C01N(H01Z,HA,HB)
;
_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
N001 N -0.18431(19) 0.18117(13) 0.65679(12) 0.0616(4) Uani 1 1 d . . . . .
N002 N 0.5574(2) -0.00558(13) 0.34680(12) 0.0620(4) Uani 1 1 d . . . . .
N003 N 0.40514(19) 0.22202(13) 0.40540(12) 0.0588(4) Uani 1 1 d . . . . .
N004 N 0.8363(2) 0.52920(13) 0.25322(13) 0.0629(4) Uani 1 1 d . . . . .
N005 N 0.5991(2) 0.14597(13) 0.33360(12) 0.0612(4) Uani 1 1 d . . . . .
N006 N 0.3414(2) -0.01326(14) 0.42863(13) 0.0660(5) Uani 1 1 d . . . . .
C007 C -0.3194(2) 0.24058(15) 0.63322(15) 0.0567(5) Uani 1 1 d . . . . .
C008 C 0.5211(2) 0.07641(15) 0.36170(14) 0.0576(5) Uani 1 1 d . . . . .
C009 C 0.1914(2) 0.15859(16) 0.48850(14) 0.0583(5) Uani 1 1 d . . . . .
C00A C 0.3296(2) 0.14963(16) 0.43373(13) 0.0574(5) Uani 1 1 d . . . . .
C00B C -0.1877(2) 0.13042(16) 0.74892(15) 0.0612(5) Uani 1 1 d . . . . .
C00C C 0.3871(2) 0.07179(15) 0.41191(14) 0.0571(5) Uani 1 1 d . . . . .
C00D C -0.3669(2) 0.30382(17) 0.54961(15) 0.0628(5) Uani 1 1 d . . . . .
H00D H -0.304016 0.312475 0.497464 0.075 Uiso 1 1 calc R . . . .
C00E C -0.0589(2) 0.17504(16) 0.59770(14) 0.0603(5) Uani 1 1 d . . . . .
C00F C 0.5317(2) 0.38950(16) 0.31328(14) 0.0601(5) Uani 1 1 d . . . . .
H00F H 0.426389 0.398888 0.319268 0.072 Uiso 1 1 calc R . . . .
C00G C -0.3268(2) 0.15700(15) 0.78532(15) 0.0599(5) Uani 1 1 d . . . . .
C00H C 0.6107(2) 0.29919(16) 0.32999(14) 0.0599(5) Uani 1 1 d . . . . .
C00I C 0.8103(2) 0.61274(16) 0.17817(15) 0.0621(5) Uani 1 1 d . . . . .
C00J C 0.6044(2) 0.46514(16) 0.28822(15) 0.0621(5) Uani 1 1 d . . . . .
H00J H 0.549354 0.526099 0.277440 0.074 Uiso 1 1 calc R . . . .
C00K C 0.7646(3) 0.28706(17) 0.32043(16) 0.0661(6) Uani 1 1 d . . . . .
H00K H 0.819713 0.226099 0.331325 0.079 Uiso 1 1 calc R . . . .
C00L C 0.9594(2) 0.53077(16) 0.29578(16) 0.0630(5) Uani 1 1 d . . . . .
C00M C 1.0136(3) 0.61529(16) 0.24740(16) 0.0639(5) Uani 1 1 d . . . . .
C00N C -0.4117(2) 0.22674(16) 0.71127(15) 0.0591(5) Uani 1 1 d . . . . .
C00O C 0.5331(2) 0.21725(15) 0.35805(14) 0.0579(5) Uani 1 1 d . . . . .
C00P C 0.4456(3) -0.05507(17) 0.38852(16) 0.0658(5) Uani 1 1 d . . . . .
H00P H 0.443405 -0.115257 0.388513 0.079 Uiso 1 1 calc R . . . .
C00Q C 0.7582(2) 0.45219(16) 0.27876(15) 0.0614(5) Uani 1 1 d . . . . .
C00R C -0.0779(3) 0.06416(18) 0.80222(17) 0.0720(6) Uani 1 1 d . . . . .
H00R H 0.015090 0.045744 0.776890 0.086 Uiso 1 1 calc R . . . .
C00S C 0.9165(3) 0.66835(16) 0.17359(16) 0.0652(5) Uani 1 1 d . . . . .
C00T C 0.8385(3) 0.36244(17) 0.29528(16) 0.0661(6) Uani 1 1 d . . . . .
H00T H 0.943801 0.353153 0.289246 0.079 Uiso 1 1 calc R . . . .
C00U C -0.3544(3) 0.11638(17) 0.87777(16) 0.0673(6) Uani 1 1 d . . . . .
H00U H -0.447647 0.133302 0.903697 0.081 Uiso 1 1 calc R . . . .
C00V C 0.7014(3) 0.64301(18) 0.11476(16) 0.0687(6) Uani 1 1 d . . . . .
H00V H 0.631826 0.604665 0.116969 0.082 Uiso 1 1 calc R . . . .
C00W C -0.5558(3) 0.27737(19) 0.70409(17) 0.0701(6) Uani 1 1 d . . . . .
H00W H -0.620150 0.268131 0.755661 0.084 Uiso 1 1 calc R . . . .
C00X C 0.0327(3) 0.24044(16) 0.57149(18) 0.0735(6) Uani 1 1 d . . . . .
H00X H 0.011156 0.291618 0.590638 0.088 Uiso 1 1 calc R . . . .
C00Y C 0.1569(3) 0.23213(16) 0.51704(17) 0.0723(6) Uani 1 1 d . . . . .
H00Y H 0.219678 0.278149 0.498981 0.087 Uiso 1 1 calc R . . . .
C00Z C 0.6825(3) -0.03147(17) 0.29275(15) 0.0647(5) Uani 1 1 d . . . . .
H00A H 0.722651 -0.098986 0.322818 0.078 Uiso 1 1 calc R . . . .
H00B H 0.762053 0.004354 0.289068 0.078 Uiso 1 1 calc R . . . .
C010 C 1.1390(3) 0.63155(18) 0.27658(19) 0.0721(6) Uani 1 1 d . . . . .
H010 H 1.179157 0.687093 0.243544 0.087 Uiso 1 1 calc R . . . .
C011 C 0.6397(3) -0.01258(17) 0.19827(16) 0.0667(6) Uani 1 1 d . . . . .
H01A H 0.725930 -0.037910 0.167615 0.080 Uiso 1 1 calc R . . . .
H01B H 0.558234 -0.047219 0.202521 0.080 Uiso 1 1 calc R . . . .
C012 C 0.5902(3) 0.09030(18) 0.14089(16) 0.0690(6) Uani 1 1 d . . . . .
H01C H 0.504948 0.115736 0.172090 0.083 Uiso 1 1 calc R . . . .
H01D H 0.554703 0.094549 0.083660 0.083 Uiso 1 1 calc R . . . .
C013 C 0.7093(3) 0.15228(17) 0.11958(17) 0.0704(6) Uani 1 1 d . . . . .
H01E H 0.735859 0.155087 0.175930 0.084 Uiso 1 1 calc R . . . .
H01F H 0.799440 0.123230 0.094813 0.084 Uiso 1 1 calc R . . . .
C014 C 0.0987(3) 0.0916(2) 0.5163(2) 0.0835(8) Uani 1 1 d . . . . .
H014 H 0.121571 0.039438 0.498552 0.100 Uiso 1 1 calc R . . . .
C015 C -0.2448(3) 0.05164(18) 0.93062(16) 0.0736(6) Uani 1 1 d . . . . .
H015 H -0.262470 0.024030 0.993602 0.088 Uiso 1 1 calc R . . . .
C016 C 1.0222(3) 0.46588(18) 0.37462(18) 0.0724(6) Uani 1 1 d . . . . .
H016 H 0.983132 0.410017 0.408123 0.087 Uiso 1 1 calc R . . . .
C017 C -0.5089(3) 0.3537(2) 0.54518(18) 0.0752(7) Uani 1 1 d . . . . .
H017 H -0.544106 0.398128 0.488823 0.090 Uiso 1 1 calc R . . . .
C018 C -0.1081(3) 0.02588(18) 0.89326(17) 0.0750(6) Uani 1 1 d . . . . .
H018 H -0.034103 -0.019047 0.931314 0.090 Uiso 1 1 calc R . . . .
C019 C -0.6032(3) 0.3405(2) 0.62180(18) 0.0795(7) Uani 1 1 d . . . . .
H019 H -0.700761 0.375769 0.616449 0.095 Uiso 1 1 calc R . . . .
C01A C 1.1441(3) 0.48558(19) 0.4027(2) 0.0794(7) Uani 1 1 d . . . . .
H01G H 1.188309 0.442670 0.457164 0.095 Uiso 1 1 calc R . . . .
C01B C 1.2038(3) 0.56630(19) 0.3537(2) 0.0773(7) Uani 1 1 d . . . . .
H01H H 1.290054 0.576402 0.373615 0.093 Uiso 1 1 calc R . . . .
C01C C 0.8533(3) 0.65560(19) -0.13509(17) 0.0793(7) Uani 1 1 d . . . . .
H01I H 0.960475 0.634680 -0.144225 0.095 Uiso 1 1 calc R . . . .
H01J H 0.840239 0.665694 -0.077999 0.095 Uiso 1 1 calc R . . . .
C01D C 0.6991(3) 0.73109(19) 0.04863(17) 0.0780(7) Uani 1 1 d . . . . .
H01K H 0.625749 0.753862 0.004497 0.094 Uiso 1 1 calc R . . . .
C01E C 0.9097(3) 0.75677(18) 0.10562(18) 0.0752(6) Uani 1 1 d . . . . .
H01L H 0.980179 0.795200 0.101780 0.090 Uiso 1 1 calc R . . . .
C01F C 0.8011(3) 0.78789(19) 0.04448(18) 0.0816(7) Uani 1 1 d . . . . .
H01M H 0.794805 0.848800 -0.001358 0.098 Uiso 1 1 calc R . . . .
C01G C 0.8035(3) 0.74830(19) -0.21129(19) 0.0823(7) Uani 1 1 d . . . . .
H01N H 0.694914 0.766815 -0.204554 0.099 Uiso 1 1 calc R . . . .
H01O H 0.823305 0.739136 -0.268748 0.099 Uiso 1 1 calc R . . . .
C01H C 0.6605(3) 0.25104(19) 0.05344(18) 0.0779(7) Uani 1 1 d . . . . .
H01P H 0.645701 0.248074 -0.004907 0.093 Uiso 1 1 calc R . . . .
H01Q H 0.563075 0.276400 0.074697 0.093 Uiso 1 1 calc R . . . .
C01I C 0.7658(3) 0.31903(19) 0.03825(19) 0.0801(7) Uani 1 1 d . . . . .
H01R H 0.866495 0.290883 0.023836 0.096 Uiso 1 1 calc R . . . .
H01S H 0.770758 0.329005 0.094444 0.096 Uiso 1 1 calc R . . . .
C01J C 0.7205(3) 0.4132(2) -0.0367(2) 0.0848(7) Uani 1 1 d . . . . .
H01T H 0.721928 0.403155 -0.093394 0.102 Uiso 1 1 calc R . . . .
H01U H 0.616869 0.438689 -0.024190 0.102 Uiso 1 1 calc R . . . .
C01K C 0.7702(3) 0.5791(2) -0.1270(2) 0.0843(7) Uani 1 1 d . . . . .
H01V H 0.784346 0.568673 -0.183983 0.101 Uiso 1 1 calc R . . . .
H01W H 0.662890 0.600629 -0.118961 0.101 Uiso 1 1 calc R . . . .
C01L C -0.0273(3) 0.1008(2) 0.5699(2) 0.0857(8) Uani 1 1 d . . . . .
H01X H -0.091734 0.055752 0.587404 0.103 Uiso 1 1 calc R . . . .
C01M C 0.8168(3) 0.48596(19) -0.05037(19) 0.0825(7) Uani 1 1 d . . . . .
H01Y H 0.920751 0.460444 -0.062085 0.099 Uiso 1 1 calc R . . . .
H H 0.813804 0.497325 0.005736 0.099 Uiso 1 1 calc R . . . .
C01N C 0.8793(4) 0.8278(2) -0.2158(2) 0.0970(9) Uani 1 1 d . . . . .
H01Z H 0.846021 0.884041 -0.268313 0.145 Uiso 1 1 calc GR . . . .
HA H 0.987220 0.809548 -0.220755 0.145 Uiso 1 1 calc GR . . . .
HB H 0.853694 0.841062 -0.161312 0.145 Uiso 1 1 calc GR . . . .


_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 C007 1.388(3) . ?
N001 C00B 1.391(3) . ?
N001 C00E 1.430(3) . ?
N002 C008 1.374(3) . ?
N002 C00P 1.367(3) . ?
N002 C00Z 1.461(3) . ?
N003 C00A 1.348(3) . ?
N003 C00O 1.340(3) . ?
N004 C00I 1.396(3) . ?
N004 C00L 1.395(3) . ?
N004 C00Q 1.427(3) . ?
N005 C008 1.328(3) . ?
N005 C00O 1.345(3) . ?
N006 C00C 1.396(3) . ?
N006 C00P 1.314(3) . ?
C007 C00D 1.385(3) . ?
C007 C00N 1.412(3) . ?
C008 C00C 1.399(3) . ?
C009 C00A 1.485(3) . ?
C009 C00Y 1.376(3) . ?
C009 C014 1.391(3) . ?
C00A C00C 1.395(3) . ?
C00B C00G 1.406(3) . ?
C00B C00R 1.386(3) . ?
C00D C017 1.378(3) . ?
C00E C00X 1.366(3) . ?
C00E C01L 1.379(4) . ?
C00F C00H 1.397(3) . ?
C00F C00J 1.378(3) . ?
C00G C00N 1.445(3) . ?
C00G C00U 1.397(3) . ?
C00H C00K 1.389(3) . ?
C00H C00O 1.485(3) . ?
C00I C00S 1.410(3) . ?
C00I C00V 1.391(3) . ?
C00J C00Q 1.388(3) . ?
C00K C00T 1.381(3) . ?
C00L C00M 1.410(3) . ?
C00L C016 1.384(3) . ?
C00M C00S 1.442(3) . ?
C00M C010 1.394(3) . ?
C00N C00W 1.395(3) . ?
C00Q C00T 1.394(3) . ?
C00R C018 1.378(3) . ?
C00S C01E 1.390(3) . ?
C00U C015 1.373(4) . ?
C00V C01D 1.377(4) . ?
C00W C019 1.369(4) . ?
C00X C00Y 1.383(3) . ?
C00Z C011 1.522(3) . ?
C010 C01B 1.373(4) . ?
C011 C012 1.520(3) . ?
C012 C013 1.528(4) . ?
C013 C01H 1.512(4) . ?
C014 C01L 1.391(3) . ?
C015 C018 1.392(4) . ?
C016 C01A 1.383(4) . ?
C017 C019 1.405(4) . ?
C01A C01B 1.390(4) . ?
C01C C01G 1.520(4) . ?
C01C C01K 1.504(4) . ?
C01D C01F 1.395(4) . ?
C01E C01F 1.364(4) . ?
C01G C01N 1.520(4) . ?
C01H C01I 1.512(4) . ?
C01I C01J 1.517(4) . ?
C01J C01M 1.515(4) . ?
C01K C01M 1.521(4) . ?

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
C007 N001 C00B 108.77(17) . . ?
C007 N001 C00E 126.28(18) . . ?
C00B N001 C00E 124.90(18) . . ?
C008 N002 C00Z 127.49(19) . . ?
C00P N002 C008 105.06(18) . . ?
C00P N002 C00Z 127.3(2) . . ?
C00O N003 C00A 119.56(18) . . ?
C00I N004 C00Q 126.21(19) . . ?
C00L N004 C00I 108.26(18) . . ?
C00L N004 C00Q 125.38(19) . . ?
C008 N005 C00O 111.93(18) . . ?
C00P N006 C00C 103.61(18) . . ?
N001 C007 C00N 108.59(19) . . ?
C00D C007 N001 129.39(19) . . ?
C00D C007 C00N 122.0(2) . . ?
N002 C008 C00C 106.63(19) . . ?
N005 C008 N002 126.21(19) . . ?
N005 C008 C00C 127.2(2) . . ?
C00Y C009 C00A 119.7(2) . . ?
C00Y C009 C014 118.4(2) . . ?
C014 C009 C00A 121.8(2) . . ?
N003 C00A C009 116.48(19) . . ?
N003 C00A C00C 118.64(19) . . ?
C00C C00A C009 124.9(2) . . ?
N001 C00B C00G 109.03(19) . . ?
C00R C00B N001 129.2(2) . . ?
C00R C00B C00G 121.7(2) . . ?
N006 C00C C008 109.65(19) . . ?
C00A C00C N006 134.58(19) . . ?
C00A C00C C008 115.8(2) . . ?
C017 C00D C007 117.2(2) . . ?
C00X C00E N001 120.3(2) . . ?
C00X C00E C01L 119.9(2) . . ?
C01L C00E N001 119.8(2) . . ?
C00J C00F C00H 120.9(2) . . ?
C00B C00G C00N 106.61(19) . . ?
C00U C00G C00B 119.2(2) . . ?
C00U C00G C00N 134.2(2) . . ?
C00F C00H C00O 121.19(19) . . ?
C00K C00H C00F 118.6(2) . . ?
C00K C00H C00O 120.2(2) . . ?
N004 C00I C00S 108.8(2) . . ?
C00V C00I N004 129.6(2) . . ?
C00V C00I C00S 121.6(2) . . ?
C00F C00J C00Q 119.9(2) . . ?
C00T C00K C00H 120.9(2) . . ?
N004 C00L C00M 109.1(2) . . ?
C016 C00L N004 129.2(2) . . ?
C016 C00L C00M 121.6(2) . . ?
C00L C00M C00S 106.7(2) . . ?
C010 C00M C00L 119.3(2) . . ?
C010 C00M C00S 134.0(2) . . ?
C007 C00N C00G 106.98(18) . . ?
C00W C00N C007 119.2(2) . . ?
C00W C00N C00G 133.8(2) . . ?
N003 C00O N005 126.9(2) . . ?
N003 C00O C00H 116.48(19) . . ?
N005 C00O C00H 116.60(18) . . ?
N006 C00P N002 115.0(2) . . ?
C00J C00Q N004 121.1(2) . . ?
C00J C00Q C00T 119.7(2) . . ?
C00T C00Q N004 119.1(2) . . ?
C018 C00R C00B 117.7(2) . . ?
C00I C00S C00M 107.1(2) . . ?
C01E C00S C00I 119.3(2) . . ?
C01E C00S C00M 133.6(2) . . ?
C00K C00T C00Q 119.9(2) . . ?
C015 C00U C00G 119.0(2) . . ?
C01D C00V C00I 117.0(2) . . ?
C019 C00W C00N 119.2(2) . . ?
C00E C00X C00Y 120.0(2) . . ?
C009 C00Y C00X 121.4(2) . . ?
N002 C00Z C011 112.69(19) . . ?
C01B C010 C00M 119.2(2) . . ?
C012 C011 C00Z 114.8(2) . . ?
C011 C012 C013 115.3(2) . . ?
C01H C013 C012 113.2(2) . . ?
C009 C014 C01L 120.2(2) . . ?
C00U C015 C018 120.9(2) . . ?
C01A C016 C00L 117.3(2) . . ?
C00D C017 C019 121.7(2) . . ?
C00R C018 C015 121.4(2) . . ?
C00W C019 C017 120.6(2) . . ?
C016 C01A C01B 121.9(3) . . ?
C010 C01B C01A 120.5(2) . . ?
C01K C01C C01G 113.9(2) . . ?
C00V C01D C01F 122.0(3) . . ?
C01F C01E C00S 119.4(3) . . ?
C01E C01F C01D 120.6(2) . . ?
C01C C01G C01N 114.1(3) . . ?
C01I C01H C013 115.7(2) . . ?
C01H C01I C01J 113.2(2) . . ?
C01M C01J C01I 115.2(2) . . ?
C01C C01K C01M 114.8(2) . . ?
C00E C01L C014 120.2(2) . . ?
C01J C01M C01K 114.0(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
