# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_mo_xlt_20181010_cn_0m
_database_code_depnum_ccdc_archive 'CCDC 1960144'
loop_
_audit_author_name
_audit_author_address
'letian xu'
;xianjiaotong university
China
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2020-08-13 downloaded from the CCDC.
;
_audit_creation_date             2019-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C31 H23 N'
_chemical_formula_sum            'C31 H23 N'
_chemical_formula_weight         409.50
_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      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                   10.109(3)
_cell_length_b                   14.356(4)
_cell_length_c                   15.707(5)
_cell_angle_alpha                74.600(4)
_cell_angle_beta                 77.581(4)
_cell_angle_gamma                81.407(4)
_cell_volume                     2135.9(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4403
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.724
_cell_measurement_theta_min      2.244
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.964
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_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    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23266
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.638
_diffrn_reflns_theta_min         1.478
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6010
_reflns_number_total             8829
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         8829
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0425
_refine_ls_restrained_S_all      1.004
_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)+(0.0256P)²+0.3510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0841
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_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 0.82609(12) 0.81458(9) 0.84034(8) 0.0215(3) Uani 1 1 d . . . . .
N002 N 0.76849(12) 0.60014(8) 0.28941(8) 0.0213(3) Uani 1 1 d . . . . .
C003 C 0.93819(15) 0.79004(10) 0.88499(10) 0.0204(3) Uani 1 1 d . . . . .
C004 C 0.90680(15) 0.57345(11) 0.25923(10) 0.0218(3) Uani 1 1 d . . . . .
C005 C 0.72345(15) 0.75462(11) 0.89174(10) 0.0224(3) Uani 1 1 d . . . . .
C006 C 0.91312(15) 0.70848(11) 0.95751(9) 0.0215(3) Uani 1 1 d . . . . .
C007 C 0.94209(15) 0.91821(11) 0.69754(10) 0.0217(3) Uani 1 1 d . . . . .
C008 C 0.69301(15) 0.52755(10) 0.28328(10) 0.0219(3) Uani 1 1 d . . . . .
C009 C 0.91960(16) 0.48753(11) 0.23005(10) 0.0229(3) Uani 1 1 d . . . . .
C00A C 0.76020(15) 0.77968(11) 0.25971(10) 0.0214(3) Uani 1 1 d . . . . .
C00B C 1.05988(16) 0.83253(11) 0.86830(11) 0.0239(4) Uani 1 1 d . . . . .
C00C C 0.80895(15) 0.90490(10) 0.76771(10) 0.0216(3) Uani 1 1 d . . . . .
C00D C 0.72598(15) 0.68482(10) 0.33118(10) 0.0218(3) Uani 1 1 d . . . . .
C00E C 0.77678(15) 0.68656(11) 0.96228(10) 0.0235(3) Uani 1 1 d . . . . .
C00F C 0.70920(15) 0.89236(11) 0.71019(10) 0.0221(3) Uani 1 1 d . . . . .
C00G C 0.78462(16) 0.45864(11) 0.24488(10) 0.0242(4) Uani 1 1 d . . . . .
C00H C 0.76285(16) 0.98818(11) 0.81620(10) 0.0236(3) Uani 1 1 d . . . . .
C00I C 0.80370(15) 0.78196(11) 0.16906(10) 0.0240(4) Uani 1 1 d . . . . .
C00J C 0.72856(16) 0.86827(11) 0.28431(11) 0.0252(4) Uani 1 1 d . . . . .
C00K C 0.79823(15) 0.66158(11) 0.41299(10) 0.0237(3) Uani 1 1 d . . . . .
C00L C 1.01245(16) 0.66563(12) 1.00932(10) 0.0257(4) Uani 1 1 d . . . . .
C00M C 1.02215(16) 0.61937(12) 0.25406(10) 0.0250(4) Uani 1 1 d . . . . .
C00N C 0.61786(16) 0.96823(12) 0.67559(10) 0.0258(4) Uani 1 1 d . . . . .
C00O C 1.03139(16) 0.83846(12) 0.68081(11) 0.0263(4) Uani 1 1 d . . . . .
C00P C 0.72137(16) 0.80612(12) 0.68263(11) 0.0255(4) Uani 1 1 d . . . . .
C00Q C 1.13325(17) 0.70601(12) 0.99101(11) 0.0276(4) Uani 1 1 d . . . . .
C00R C 0.56910(15) 0.69746(10) 0.36143(10) 0.0232(3) Uani 1 1 d . . . . .
C00S C 0.85547(18) 1.04393(12) 0.82898(11) 0.0278(4) Uani 1 1 d . . . . .
C00T C 0.58968(16) 0.75204(12) 0.88253(11) 0.0270(4) Uani 1 1 d . . . . .
C00U C 0.55425(17) 0.51407(12) 0.30797(11) 0.0290(4) Uani 1 1 d . . . . .
C00V C 1.15564(17) 0.78919(11) 0.92180(11) 0.0250(4) Uani 1 1 d . . . . .
C00W C 1.04768(17) 0.44732(12) 0.19463(10) 0.0271(4) Uani 1 1 d . . . . .
C00X C 1.14810(17) 0.57723(12) 0.21968(11) 0.0287(4) Uani 1 1 d . . . . .
C00Y C 0.81886(17) 0.86957(12) 0.10524(11) 0.0284(4) Uani 1 1 d . . . . .
C00Z C 0.64156(17) 0.79497(13) 0.62541(11) 0.0290(4) Uani 1 1 d . . . . .
C010 C 1.16132(18) 0.49214(12) 0.18988(11) 0.0297(4) Uani 1 1 d . . . . .
C011 C 0.87020(16) 0.72560(13) 0.43231(11) 0.0281(4) Uani 1 1 d . . . . .
C012 C 0.96793(17) 1.00913(12) 0.64152(11) 0.0280(4) Uani 1 1 d . . . . .
C013 C 0.54710(17) 0.86978(13) 0.59427(11) 0.0306(4) Uani 1 1 d . . . . .
C014 C 0.50477(17) 0.67043(12) 0.45069(11) 0.0295(4) Uani 1 1 d . . . . .
C015 C 0.74366(17) 0.95542(12) 0.22080(12) 0.0297(4) Uani 1 1 d . . . . .
C016 C 0.69914(17) 0.61574(12) 1.02215(11) 0.0307(4) Uani 1 1 d . . . . .
C017 C 0.53632(17) 0.95622(13) 0.61906(11) 0.0307(4) Uani 1 1 d . . . . .
C018 C 0.62667(17) 1.00353(12) 0.85686(11) 0.0280(4) Uani 1 1 d . . . . .
C019 C 0.58443(19) 1.07436(12) 0.90512(11) 0.0325(4) Uani 1 1 d . . . . .
C01A C 0.48829(17) 0.73833(12) 0.29657(12) 0.0311(4) Uani 1 1 d . . . . .
C01B C 0.78982(18) 0.56897(12) 0.47103(11) 0.0322(4) Uani 1 1 d . . . . .
C01C C 0.78960(17) 0.95624(12) 0.13080(12) 0.0308(4) Uani 1 1 d . . . . .
C01D C 0.51517(18) 0.68044(13) 0.94229(12) 0.0327(4) Uani 1 1 d . . . . .
C01E C 0.73786(19) 0.37991(12) 0.22759(11) 0.0308(4) Uani 1 1 d . . . . .
C01F C 1.08233(18) 1.02005(14) 0.57415(11) 0.0339(4) Uani 1 1 d . . . . .
C01G C 1.14616(18) 0.85010(14) 0.61372(11) 0.0335(4) Uani 1 1 d . . . . .
C01H C 0.56843(18) 0.61256(13) 1.01144(12) 0.0349(4) Uani 1 1 d . . . . .
C01I C 0.91600(19) 0.60842(15) 0.56694(12) 0.0390(5) Uani 1 1 d . . . . .
C01J C 0.81326(19) 1.11361(13) 0.87852(12) 0.0345(4) Uani 1 1 d . . . . .
C01K C 0.67720(19) 1.12982(13) 0.91590(12) 0.0355(4) Uani 1 1 d . . . . .
C01L C 1.17250(18) 0.94098(14) 0.56086(12) 0.0364(4) Uani 1 1 d . . . . .
C01M C 0.60098(19) 0.36871(13) 0.25032(12) 0.0363(4) Uani 1 1 d . . . . .
C01N C 0.92864(17) 0.69905(14) 0.50953(11) 0.0340(4) Uani 1 1 d . . . . .
C01O C 0.51118(19) 0.43513(13) 0.29047(12) 0.0349(4) Uani 1 1 d . . . . .
C01P C 0.36375(18) 0.68041(13) 0.47393(13) 0.0391(5) Uani 1 1 d . . . . .
C01Q C 0.84700(19) 0.54309(14) 0.54710(12) 0.0389(5) Uani 1 1 d . . . . .
C01R C 0.34764(18) 0.74896(13) 0.31984(14) 0.0389(5) Uani 1 1 d . . . . .
C01S C 0.2854(2) 0.71924(14) 0.40867(14) 0.0447(5) Uani 1 1 d . . . . .
H00N H 0.6100(14) 1.0300(11) 0.6908(9) 0.021(4) Uiso 1 1 d . . . . .
H00M H 1.0164(14) 0.6802(10) 0.2721(9) 0.020(4) Uiso 1 1 d . . . . .
H00S H 0.9528(15) 1.0375(10) 0.8012(10) 0.024(4) Uiso 1 1 d . . . . .
H00I H 0.8204(14) 0.7200(11) 0.1505(9) 0.021(4) Uiso 1 1 d . . . . .
H018 H 0.5605(15) 0.9635(11) 0.8520(10) 0.026(4) Uiso 1 1 d . . . . .
H012 H 0.9044(15) 1.0671(11) 0.6488(10) 0.026(4) Uiso 1 1 d . . . . .
H00W H 1.0568(15) 0.3882(11) 0.1735(10) 0.026(4) Uiso 1 1 d . . . . .
H00X H 1.2300(16) 0.6086(11) 0.2161(10) 0.027(4) Uiso 1 1 d . . . . .
H00B H 1.0797(15) 0.8891(11) 0.8182(10) 0.026(4) Uiso 1 1 d . . . . .
H00T H 0.5473(15) 0.7995(11) 0.8349(10) 0.026(4) Uiso 1 1 d . . . . .
H00J H 0.6917(15) 0.8697(10) 0.3467(10) 0.025(4) Uiso 1 1 d . . . . .
H00Q H 1.2034(15) 0.6774(11) 1.0276(10) 0.028(4) Uiso 1 1 d . . . . .
H011 H 0.8822(15) 0.7899(12) 0.3939(10) 0.029(5) Uiso 1 1 d . . . . .
H01A H 0.5302(15) 0.7587(11) 0.2326(11) 0.029(4) Uiso 1 1 d . . . . .
H014 H 0.5585(16) 0.6440(11) 0.5000(11) 0.035(5) Uiso 1 1 d . . . . .
H00O H 1.0138(15) 0.7733(11) 0.7176(10) 0.029(4) Uiso 1 1 d . . . . .
H01N H 0.9776(16) 0.7468(11) 0.5205(10) 0.031(5) Uiso 1 1 d . . . . .
H01B H 0.7405(16) 0.5206(12) 0.4584(11) 0.037(5) Uiso 1 1 d . . . . .
H00P H 0.7870(15) 0.7523(11) 0.7044(10) 0.027(4) Uiso 1 1 d . . . . .
H00L H 0.9938(15) 0.6070(11) 1.0582(10) 0.026(4) Uiso 1 1 d . . . . .
H00V H 1.2416(16) 0.8182(11) 0.9097(10) 0.029(4) Uiso 1 1 d . . . . .
H015 H 0.7212(15) 1.0174(12) 0.2398(10) 0.032(4) Uiso 1 1 d . . . . .
H016 H 0.7397(16) 0.5689(11) 1.0711(11) 0.032(4) Uiso 1 1 d . . . . .
H00U H 0.4884(16) 0.5570(11) 0.3355(10) 0.031(5) Uiso 1 1 d . . . . .
H01F H 1.0972(15) 1.0848(12) 0.5350(10) 0.031(4) Uiso 1 1 d . . . . .
H013 H 0.4910(16) 0.8623(11) 0.5553(11) 0.033(5) Uiso 1 1 d . . . . .
H01G H 1.2101(17) 0.7933(12) 0.6059(11) 0.039(5) Uiso 1 1 d . . . . .
H019 H 0.4901(17) 1.0853(11) 0.9311(11) 0.036(5) Uiso 1 1 d . . . . .
H010 H 1.2520(16) 0.4642(11) 0.1647(10) 0.028(4) Uiso 1 1 d . . . . .
H00Z H 0.6519(15) 0.7352(11) 0.6079(10) 0.028(4) Uiso 1 1 d . . . . .
H01E H 0.8022(16) 0.3351(11) 0.1994(10) 0.032(5) Uiso 1 1 d . . . . .
H01C H 0.8014(16) 1.0174(12) 0.0859(11) 0.036(5) Uiso 1 1 d . . . . .
H00Y H 0.8486(17) 0.8690(12) 0.0411(12) 0.042(5) Uiso 1 1 d . . . . .
H01M H 0.5674(16) 0.3127(12) 0.2395(11) 0.038(5) Uiso 1 1 d . . . . .
H01D H 0.4227(17) 0.6780(11) 0.9343(11) 0.037(5) Uiso 1 1 d . . . . .
H01J H 0.8797(17) 1.1534(12) 0.8851(11) 0.042(5) Uiso 1 1 d . . . . .
H01O H 0.4137(17) 0.4263(11) 0.3074(10) 0.034(5) Uiso 1 1 d . . . . .
H017 H 0.4729(17) 1.0107(12) 0.5968(11) 0.037(5) Uiso 1 1 d . . . . .
H01R H 0.2952(17) 0.7759(12) 0.2715(12) 0.045(5) Uiso 1 1 d . . . . .
H01L H 1.2522(17) 0.9504(12) 0.5129(11) 0.039(5) Uiso 1 1 d . . . . .
H01S H 0.1868(19) 0.7240(13) 0.4249(12) 0.050(6) Uiso 1 1 d . . . . .
H01I H 0.9577(18) 0.5895(12) 0.6196(12) 0.048(5) Uiso 1 1 d . . . . .
H01K H 0.6479(16) 1.1797(12) 0.9499(11) 0.040(5) Uiso 1 1 d . . . . .
H01H H 0.5116(16) 0.5637(12) 1.0511(11) 0.038(5) Uiso 1 1 d . . . . .
H01Q H 0.8387(18) 0.4789(14) 0.5872(13) 0.056(6) Uiso 1 1 d . . . . .
H01P H 0.3201(18) 0.6587(13) 0.5390(13) 0.053(6) Uiso 1 1 d . . . . .


_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 C003 1.4112(18) . ?
N001 C005 1.4167(18) . ?
N001 C00C 1.4984(18) . ?
N002 C004 1.4064(18) . ?
N002 C008 1.4141(18) . ?
N002 C00D 1.4964(18) . ?
C003 C006 1.410(2) . ?
C003 C00B 1.398(2) . ?
C004 C009 1.405(2) . ?
C004 C00M 1.401(2) . ?
C005 C00E 1.413(2) . ?
C005 C00T 1.397(2) . ?
C006 C00E 1.441(2) . ?
C006 C00L 1.396(2) . ?
C007 C00C 1.546(2) . ?
C007 C00O 1.394(2) . ?
C007 C012 1.393(2) . ?
C008 C00G 1.415(2) . ?
C008 C00U 1.401(2) . ?
C009 C00G 1.439(2) . ?
C009 C00W 1.399(2) . ?
C00A C00D 1.548(2) . ?
C00A C00I 1.390(2) . ?
C00A C00J 1.398(2) . ?
C00B C00V 1.387(2) . ?
C00C C00F 1.549(2) . ?
C00C C00H 1.546(2) . ?
C00D C00K 1.549(2) . ?
C00D C00R 1.552(2) . ?
C00E C016 1.395(2) . ?
C00F C00N 1.391(2) . ?
C00F C00P 1.397(2) . ?
C00G C01E 1.397(2) . ?
C00H C00S 1.395(2) . ?
C00H C018 1.399(2) . ?
C00I C00Y 1.390(2) . ?
C00J C015 1.383(2) . ?
C00K C011 1.382(2) . ?
C00K C01B 1.401(2) . ?
C00L C00Q 1.372(2) . ?
C00M C00X 1.388(2) . ?
C00N C017 1.391(2) . ?
C00O C01G 1.387(2) . ?
C00P C00Z 1.382(2) . ?
C00Q C00V 1.395(2) . ?
C00R C014 1.390(2) . ?
C00R C01A 1.395(2) . ?
C00S C01J 1.390(2) . ?
C00T C01D 1.386(2) . ?
C00U C01O 1.383(2) . ?
C00W C010 1.378(2) . ?
C00X C010 1.399(2) . ?
C00Y C01C 1.379(2) . ?
C00Z C013 1.386(2) . ?
C011 C01N 1.400(2) . ?
C012 C01F 1.386(2) . ?
C013 C017 1.379(2) . ?
C014 C01P 1.389(2) . ?
C015 C01C 1.387(2) . ?
C016 C01H 1.376(2) . ?
C018 C019 1.390(2) . ?
C019 C01K 1.380(2) . ?
C01A C01R 1.385(2) . ?
C01B C01Q 1.377(2) . ?
C01D C01H 1.397(2) . ?
C01E C01M 1.375(2) . ?
C01F C01L 1.378(3) . ?
C01G C01L 1.377(3) . ?
C01I C01N 1.378(3) . ?
C01I C01Q 1.381(3) . ?
C01J C01K 1.386(2) . ?
C01M C01O 1.395(2) . ?
C01P C01S 1.380(3) . ?
C01R C01S 1.382(3) . ?

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
C003 N001 C005 107.25(12) . . ?
C003 N001 C00C 123.94(12) . . ?
C005 N001 C00C 126.85(12) . . ?
C004 N002 C008 107.75(12) . . ?
C004 N002 C00D 120.80(12) . . ?
C008 N002 C00D 130.89(12) . . ?
C006 C003 N001 109.19(13) . . ?
C00B C003 N001 130.96(14) . . ?
C00B C003 C006 119.85(14) . . ?
C009 C004 N002 109.39(13) . . ?
C00M C004 N002 130.13(14) . . ?
C00M C004 C009 120.47(14) . . ?
C00E C005 N001 108.70(13) . . ?
C00T C005 N001 131.83(14) . . ?
C00T C005 C00E 119.46(14) . . ?
C003 C006 C00E 107.05(13) . . ?
C00L C006 C003 120.61(14) . . ?
C00L C006 C00E 132.33(14) . . ?
C00O C007 C00C 121.10(13) . . ?
C012 C007 C00C 120.64(14) . . ?
C012 C007 C00O 117.79(14) . . ?
N002 C008 C00G 108.14(13) . . ?
C00U C008 N002 132.49(14) . . ?
C00U C008 C00G 119.38(14) . . ?
C004 C009 C00G 106.88(13) . . ?
C00W C009 C004 120.38(15) . . ?
C00W C009 C00G 132.75(14) . . ?
C00I C00A C00D 122.29(13) . . ?
C00I C00A C00J 117.92(14) . . ?
C00J C00A C00D 119.16(13) . . ?
C00V C00B C003 118.07(15) . . ?
N001 C00C C007 110.23(11) . . ?
N001 C00C C00F 110.32(12) . . ?
N001 C00C C00H 105.70(11) . . ?
C007 C00C C00F 101.48(12) . . ?
C007 C00C C00H 114.51(12) . . ?
C00H C00C C00F 114.66(12) . . ?
N002 C00D C00A 109.50(11) . . ?
N002 C00D C00K 105.48(12) . . ?
N002 C00D C00R 110.97(12) . . ?
C00A C00D C00K 115.43(12) . . ?
C00A C00D C00R 104.76(11) . . ?
C00K C00D C00R 110.79(12) . . ?
C005 C00E C006 107.38(13) . . ?
C016 C00E C005 121.27(15) . . ?
C016 C00E C006 131.34(15) . . ?
C00N C00F C00C 122.23(14) . . ?
C00N C00F C00P 117.95(15) . . ?
C00P C00F C00C 119.37(13) . . ?
C008 C00G C009 107.76(13) . . ?
C01E C00G C008 120.96(15) . . ?
C01E C00G C009 131.28(15) . . ?
C00S C00H C00C 122.00(14) . . ?
C00S C00H C018 117.51(15) . . ?
C018 C00H C00C 120.19(14) . . ?
C00Y C00I C00A 120.93(15) . . ?
C015 C00J C00A 121.11(15) . . ?
C011 C00K C00D 124.57(14) . . ?
C011 C00K C01B 118.07(15) . . ?
C01B C00K C00D 117.36(14) . . ?
C00Q C00L C006 119.19(15) . . ?
C00X C00M C004 117.93(15) . . ?
C00F C00N C017 120.64(16) . . ?
C01G C00O C007 120.99(16) . . ?
C00Z C00P C00F 121.17(15) . . ?
C00L C00Q C00V 120.14(15) . . ?
C014 C00R C00D 123.00(14) . . ?
C014 C00R C01A 118.13(15) . . ?
C01A C00R C00D 118.87(14) . . ?
C01J C00S C00H 121.14(16) . . ?
C01D C00T C005 118.14(16) . . ?
C01O C00U C008 118.26(16) . . ?
C00B C00V C00Q 122.01(16) . . ?
C010 C00W C009 119.23(15) . . ?
C00M C00X C010 121.84(16) . . ?
C01C C00Y C00I 120.41(16) . . ?
C00P C00Z C013 120.27(16) . . ?
C00W C010 C00X 120.15(16) . . ?
C00K C011 C01N 120.47(17) . . ?
C01F C012 C007 120.77(16) . . ?
C017 C013 C00Z 119.23(16) . . ?
C01P C014 C00R 120.73(17) . . ?
C00J C015 C01C 120.16(16) . . ?
C01H C016 C00E 118.85(16) . . ?
C013 C017 C00N 120.66(16) . . ?
C019 C018 C00H 121.18(17) . . ?
C01K C019 C018 120.46(17) . . ?
C01R C01A C00R 121.09(17) . . ?
C01Q C01B C00K 121.34(18) . . ?
C00Y C01C C015 119.44(16) . . ?
C00T C01D C01H 122.36(17) . . ?
C01M C01E C00G 119.04(16) . . ?
C01L C01F C012 120.65(17) . . ?
C01L C01G C00O 120.37(17) . . ?
C016 C01H C01D 119.91(16) . . ?
C01N C01I C01Q 119.53(18) . . ?
C01K C01J C00S 120.46(17) . . ?
C019 C01K C01J 119.21(17) . . ?
C01G C01L C01F 119.33(17) . . ?
C01E C01M C01O 119.99(17) . . ?
C01I C01N C011 120.44(18) . . ?
C00U C01O C01M 122.32(17) . . ?
C01S C01P C014 120.30(18) . . ?
C01B C01Q C01I 120.11(18) . . ?
C01S C01R C01A 119.91(18) . . ?
C01P C01S C01R 119.79(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
