# 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. 
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data_20200114huoyp_0m
_database_code_depnum_ccdc_archive 'CCDC 1977789'
loop_
_audit_author_name
_audit_author_address
'Zhipeng Qiu'
;Guangdong university of technology
China
;
_audit_update_record             
;
2020-01-15 deposited with the CCDC.	2020-02-02 downloaded from the CCDC.
;
_audit_creation_date             2020-01-15
_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         'C61 H52 N2 O2'
_chemical_formula_sum            'C61 H52 N2 O2'
_chemical_formula_weight         845.04
_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'
O O 0.0106 0.0060 '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                   18.7551(9)
_cell_length_b                   10.4607(5)
_cell_length_c                   24.1187(11)
_cell_angle_alpha                90
_cell_angle_beta                 103.685(2)
_cell_angle_gamma                90
_cell_volume                     4597.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9864
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0862 before and 0.0502 after correction.
The Ratio of minimum to maximum transmission is 0.9179.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1792
_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  0.0475
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            47804
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.425
_diffrn_reflns_theta_min         2.610
_diffrn_ambient_temperature      229.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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                6632
_reflns_number_total             9386
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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         0.626
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         9386
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0651
_refine_ls_restrained_S_all      1.043
_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)+(0.0551P)²+3.4611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1619
_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. Rigid bond restraints
 C58, C59
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0001
3.a Secondary CH2 refined with riding coordinates:
 C57(H57A,H57B), C47(H47A,H47B), C58(H58A,H58B), C48(H48A,H48B), C59(H59A,
 H59B), C49(H49A,H49B)
3.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C52(H52), C31(H31), C20(H20), C53(H53), C25(H25), C22(H22),
 C42(H42), C26(H26), C29(H29), C14(H14), C46(H46), C23(H23), C43(H43), C16(H16),
  C39(H39), C19(H19), C56(H56), C5(H5), C2(H2), C28(H28), C45(H45), C13(H13),
 C3(H3), C11(H11), C4(H4), C35(H35), C12(H12), C17(H17), C55(H55), C18(H18),
 C38(H38), C37(H37), C36(H36)
3.c Idealised Me refined as rotating group:
 C50(H50A,H50B,H50C), C60(H60A,H60B,H60C)
;
_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
O2 O 0.99056(9) 0.3133(2) 0.49225(8) 0.0583(5) Uani 1 1 d . . . . .
N2 N 0.14628(10) 0.31391(18) 0.66582(8) 0.0365(4) Uani 1 1 d . . . . .
N1 N 0.16724(10) 0.52453(19) 0.67474(8) 0.0387(5) Uani 1 1 d . . . . .
O1 O 0.76677(12) 0.5582(2) 0.78246(8) 0.0651(6) Uani 1 1 d . . . . .
C51 C 0.79391(12) 0.3271(2) 0.54381(10) 0.0363(5) Uani 1 1 d . . . . .
C15 C 0.15722(12) 0.1800(2) 0.65577(10) 0.0372(5) Uani 1 1 d . . . . .
C32 C 0.50473(13) 0.4553(2) 0.57671(11) 0.0408(6) Uani 1 1 d . . . . .
H32 H 0.493935 0.539147 0.586073 0.049 Uiso 1 1 calc R . . . .
C7 C 0.09348(12) 0.3640(2) 0.69212(10) 0.0356(5) Uani 1 1 d . . . . .
C41 C 0.73195(11) 0.3916(2) 0.62107(10) 0.0355(5) Uani 1 1 d . . . . .
C8 C 0.10803(12) 0.4927(2) 0.69657(10) 0.0357(5) Uani 1 1 d . . . . .
C52 C 0.79521(12) 0.3625(2) 0.48871(10) 0.0369(5) Uani 1 1 d . . . . .
H52 H 0.751495 0.389573 0.463638 0.044 Uiso 1 1 calc R . . . .
C9 C 0.06533(12) 0.5789(2) 0.72216(10) 0.0371(5) Uani 1 1 d . . . . .
C34 C 0.65569(12) 0.1955(2) 0.48367(10) 0.0389(5) Uani 1 1 d . . . . .
C40 C 0.72457(12) 0.3308(2) 0.56430(10) 0.0361(5) Uani 1 1 d . . . . .
C31 C 0.57040(12) 0.4310(2) 0.56210(10) 0.0398(6) Uani 1 1 d . . . . .
H31 H 0.602843 0.498820 0.560774 0.048 Uiso 1 1 calc R . . . .
C33 C 0.66061(12) 0.2809(2) 0.53388(10) 0.0355(5) Uani 1 1 d . . . . .
C6 C 0.03489(12) 0.3047(2) 0.71257(10) 0.0359(5) Uani 1 1 d . . . . .
C21 C 0.25373(12) 0.4049(2) 0.63238(10) 0.0371(5) Uani 1 1 d . . . . .
C20 C 0.11681(13) 0.1224(3) 0.60710(11) 0.0464(6) Uani 1 1 d . . . . .
H20 H 0.083739 0.170508 0.579578 0.056 Uiso 1 1 calc R . . . .
C53 C 0.85928(12) 0.3590(2) 0.46958(10) 0.0390(5) Uani 1 1 d . . . . .
H53 H 0.858698 0.382796 0.431894 0.047 Uiso 1 1 calc R . . . .
C25 C 0.37677(13) 0.4752(2) 0.63380(10) 0.0412(6) Uani 1 1 d . . . . .
H25 H 0.416128 0.530929 0.648123 0.049 Uiso 1 1 calc R . . . .
C00M C 0.18915(12) 0.4161(2) 0.65708(10) 0.0372(5) Uani 1 1 d . . . . .
C1 C -0.00945(12) 0.3901(2) 0.73602(10) 0.0383(5) Uani 1 1 d . . . . .
C27 C 0.45428(12) 0.3586(2) 0.57790(10) 0.0383(5) Uani 1 1 d . . . . .
C10 C 0.00657(12) 0.5271(2) 0.74197(10) 0.0382(5) Uani 1 1 d . . . . .
C22 C 0.25820(13) 0.3204(3) 0.58923(11) 0.0466(6) Uani 1 1 d . . . . .
H22 H 0.217407 0.269496 0.572693 0.056 Uiso 1 1 calc R . . . .
C24 C 0.38353(12) 0.3832(2) 0.59377(10) 0.0392(5) Uani 1 1 d . . . . .
C30 C 0.58913(12) 0.3076(2) 0.54932(10) 0.0353(5) Uani 1 1 d . . . . .
C42 C 0.70177(13) 0.3361(2) 0.66271(10) 0.0416(6) Uani 1 1 d . . . . .
H42 H 0.674122 0.260750 0.653971 0.050 Uiso 1 1 calc R . . . .
C26 C 0.31307(13) 0.4859(2) 0.65289(11) 0.0424(6) Uani 1 1 d . . . . .
H26 H 0.309774 0.548732 0.680050 0.051 Uiso 1 1 calc R . . . .
C29 C 0.53889(13) 0.2109(2) 0.55035(11) 0.0423(6) Uani 1 1 d . . . . .
H29 H 0.549784 0.126893 0.541182 0.051 Uiso 1 1 calc R . . . .
C14 C 0.08156(14) 0.7093(2) 0.72795(11) 0.0460(6) Uani 1 1 d . . . . .
H14 H 0.120676 0.742347 0.714179 0.055 Uiso 1 1 calc R . . . .
C46 C 0.77253(13) 0.5034(2) 0.63603(11) 0.0415(6) Uani 1 1 d . . . . .
H46 H 0.793720 0.543268 0.608884 0.050 Uiso 1 1 calc R . . . .
C23 C 0.32201(13) 0.3098(3) 0.57006(11) 0.0458(6) Uani 1 1 d . . . . .
H23 H 0.323772 0.252026 0.540559 0.055 Uiso 1 1 calc R . . . .
C43 C 0.71119(13) 0.3885(3) 0.71648(11) 0.0463(6) Uani 1 1 d . . . . .
H43 H 0.689856 0.349156 0.743654 0.056 Uiso 1 1 calc R . . . .
C16 C 0.20683(13) 0.1107(2) 0.69617(11) 0.0429(6) Uani 1 1 d . . . . .
H16 H 0.234606 0.150941 0.729100 0.051 Uiso 1 1 calc R . . . .
C39 C 0.70613(14) 0.0983(2) 0.48392(13) 0.0502(7) Uani 1 1 d . . . . .
H39 H 0.745028 0.086017 0.516110 0.060 Uiso 1 1 calc R . . . .
C19 C 0.12555(15) -0.0080(3) 0.59915(13) 0.0545(7) Uani 1 1 d . . . . .
H19 H 0.097862 -0.048417 0.566218 0.065 Uiso 1 1 calc R . . . .
C56 C 0.85964(13) 0.2905(3) 0.58021(11) 0.0464(6) Uani 1 1 d . . . . .
H56 H 0.860563 0.268171 0.618121 0.056 Uiso 1 1 calc R . . . .
C44 C 0.75204(14) 0.4991(3) 0.73037(11) 0.0454(6) Uani 1 1 d . . . . .
C5 C 0.01944(13) 0.1734(2) 0.71062(11) 0.0461(6) Uani 1 1 d . . . . .
H5 H 0.049323 0.117030 0.695829 0.055 Uiso 1 1 calc R . . . .
C2 C -0.06883(13) 0.3365(3) 0.75429(11) 0.0477(6) Uani 1 1 d . . . . .
H2 H -0.099693 0.390992 0.769018 0.057 Uiso 1 1 calc R . . . .
C28 C 0.47295(13) 0.2358(2) 0.56465(11) 0.0443(6) Uani 1 1 d . . . . .
H28 H 0.440164 0.168195 0.565390 0.053 Uiso 1 1 calc R . . . .
C45 C 0.78233(14) 0.5567(3) 0.68920(11) 0.0470(6) Uani 1 1 d . . . . .
H45 H 0.809614 0.632470 0.697916 0.056 Uiso 1 1 calc R . . . .
C54 C 0.92389(12) 0.3204(2) 0.50608(11) 0.0426(6) Uani 1 1 d . . . . .
C13 C 0.04134(15) 0.7892(3) 0.75335(12) 0.0550(7) Uani 1 1 d . . . . .
H13 H 0.052343 0.876923 0.756785 0.066 Uiso 1 1 calc R . . . .
C3 C -0.08329(14) 0.2089(3) 0.75147(12) 0.0547(7) Uani 1 1 d . . . . .
H3 H -0.123537 0.176855 0.764076 0.066 Uiso 1 1 calc R . . . .
C11 C -0.03318(13) 0.6124(3) 0.76868(11) 0.0485(6) Uani 1 1 d . . . . .
H11 H -0.072217 0.580937 0.783009 0.058 Uiso 1 1 calc R . . . .
C4 C -0.03833(14) 0.1256(3) 0.72984(13) 0.0533(7) Uani 1 1 d . . . . .
H4 H -0.047673 0.037279 0.728489 0.064 Uiso 1 1 calc R . . . .
C35 C 0.59906(15) 0.2083(3) 0.43572(12) 0.0530(7) Uani 1 1 d . . . . .
H35 H 0.563853 0.272714 0.434777 0.064 Uiso 1 1 calc R . . . .
C12 C -0.01635(15) 0.7394(3) 0.77421(12) 0.0546(7) Uani 1 1 d . . . . .
H12 H -0.043796 0.793884 0.792209 0.066 Uiso 1 1 calc R . . . .
C17 C 0.21502(15) -0.0184(3) 0.68745(12) 0.0519(7) Uani 1 1 d . . . . .
H17 H 0.248633 -0.066245 0.714709 0.062 Uiso 1 1 calc R . . . .
C55 C 0.92361(13) 0.2864(3) 0.56153(11) 0.0509(7) Uani 1 1 d . . . . .
H55 H 0.967499 0.260370 0.586683 0.061 Uiso 1 1 calc R . . . .
C18 C 0.17442(16) -0.0781(3) 0.63918(13) 0.0566(7) Uani 1 1 d . . . . .
H18 H 0.180148 -0.166141 0.633699 0.068 Uiso 1 1 calc R . . . .
C57 C 0.99436(15) 0.3541(3) 0.43629(12) 0.0560(7) Uani 1 1 d . . . . .
H57A H 0.977836 0.442940 0.429971 0.067 Uiso 1 1 calc R . . . .
H57B H 0.962704 0.300411 0.407309 0.067 Uiso 1 1 calc R . . . .
C38 C 0.69926(18) 0.0193(3) 0.43681(17) 0.0702(10) Uani 1 1 d . . . . .
H38 H 0.734120 -0.045595 0.437416 0.084 Uiso 1 1 calc R . . . .
C37 C 0.6432(2) 0.0334(4) 0.38974(16) 0.0779(11) Uani 1 1 d . . . . .
H37 H 0.639218 -0.021271 0.358225 0.093 Uiso 1 1 calc R . . . .
C36 C 0.59270(19) 0.1286(4) 0.38889(14) 0.0719(9) Uani 1 1 d . . . . .
H36 H 0.553805 0.139808 0.356590 0.086 Uiso 1 1 calc R . . . .
C47 C 0.7366(2) 0.5059(3) 0.82647(13) 0.0699(9) Uani 1 1 d . . . . .
H47A H 0.685749 0.480298 0.809985 0.084 Uiso 1 1 calc R . . . .
H47B H 0.735848 0.572445 0.854911 0.084 Uiso 1 1 calc R . . . .
C58 C 1.07319(17) 0.3425(4) 0.43216(16) 0.0770(9) Uani 1 1 d . U . . .
H58A H 1.102945 0.400905 0.460098 0.092 Uiso 1 1 calc R . . . .
H58B H 1.076276 0.371784 0.394198 0.092 Uiso 1 1 calc R . . . .
C48 C 0.7774(2) 0.3947(4) 0.85530(17) 0.0872(11) Uani 1 1 d . . . . .
H48A H 0.748217 0.354936 0.879392 0.105 Uiso 1 1 calc R . . . .
H48B H 0.782099 0.332014 0.826160 0.105 Uiso 1 1 calc R . . . .
C59 C 1.1076(2) 0.2090(4) 0.44190(18) 0.0941(12) Uani 1 1 d . U . . .
H59A H 1.160665 0.216357 0.445967 0.113 Uiso 1 1 calc R . . . .
H59B H 1.099549 0.174409 0.477685 0.113 Uiso 1 1 calc R . . . .
C49 C 0.8507(2) 0.4214(5) 0.89069(19) 0.1028(14) Uani 1 1 d . . . . .
H49A H 0.847021 0.479147 0.921871 0.123 Uiso 1 1 calc R . . . .
H49B H 0.880550 0.463164 0.867660 0.123 Uiso 1 1 calc R . . . .
C50 C 0.8882(3) 0.2919(6) 0.9159(2) 0.133(2) Uani 1 1 d . . . . .
H50A H 0.897633 0.239676 0.885215 0.200 Uiso 1 1 calc GR . . . .
H50B H 0.855927 0.246327 0.935093 0.200 Uiso 1 1 calc GR . . . .
H50C H 0.934223 0.310386 0.943020 0.200 Uiso 1 1 calc GR . . . .
C60 C 1.0782(3) 0.1215(5) 0.3966(2) 0.1322(19) Uani 1 1 d . . . . .
H60A H 1.083061 0.157594 0.360599 0.198 Uiso 1 1 calc GR . . . .
H60B H 1.026784 0.106215 0.395065 0.198 Uiso 1 1 calc GR . . . .
H60C H 1.104930 0.041401 0.403360 0.198 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
O2 C54 1.370(3) . ?
O2 C57 1.433(3) . ?
N2 C15 1.445(3) . ?
N2 C7 1.398(3) . ?
N2 C00M 1.383(3) . ?
N1 C8 1.378(3) . ?
N1 C00M 1.311(3) . ?
O1 C44 1.369(3) . ?
O1 C47 1.425(4) . ?
C51 C52 1.385(3) . ?
C51 C40 1.497(3) . ?
C51 C56 1.388(3) . ?
C15 C20 1.376(3) . ?
C15 C16 1.382(3) . ?
C32 C31 1.382(3) . ?
C32 C27 1.390(3) . ?
C7 C8 1.373(3) . ?
C7 C6 1.446(3) . ?
C41 C40 1.486(3) . ?
C41 C42 1.391(3) . ?
C41 C46 1.396(3) . ?
C8 C9 1.439(3) . ?
C52 C53 1.386(3) . ?
C9 C10 1.409(3) . ?
C9 C14 1.397(3) . ?
C34 C33 1.490(3) . ?
C34 C39 1.388(3) . ?
C34 C35 1.379(4) . ?
C40 C33 1.354(3) . ?
C31 C30 1.392(3) . ?
C33 C30 1.500(3) . ?
C6 C1 1.425(3) . ?
C6 C5 1.402(3) . ?
C21 C00M 1.475(3) . ?
C21 C22 1.383(3) . ?
C21 C26 1.393(3) . ?
C20 C19 1.393(4) . ?
C53 C54 1.379(3) . ?
C25 C24 1.390(3) . ?
C25 C26 1.383(3) . ?
C1 C10 1.465(3) . ?
C1 C2 1.407(3) . ?
C27 C24 1.488(3) . ?
C27 C28 1.388(3) . ?
C10 C11 1.412(3) . ?
C22 C23 1.386(3) . ?
C24 C23 1.391(3) . ?
C30 C29 1.387(3) . ?
C42 C43 1.380(3) . ?
C29 C28 1.385(3) . ?
C14 C13 1.364(3) . ?
C46 C45 1.370(4) . ?
C43 C44 1.384(4) . ?
C16 C17 1.381(4) . ?
C39 C38 1.386(4) . ?
C19 C18 1.375(4) . ?
C56 C55 1.378(3) . ?
C44 C45 1.392(4) . ?
C5 C4 1.370(3) . ?
C2 C3 1.360(4) . ?
C54 C55 1.385(3) . ?
C13 C12 1.397(4) . ?
C3 C4 1.396(4) . ?
C11 C12 1.365(4) . ?
C35 C36 1.386(4) . ?
C17 C18 1.380(4) . ?
C57 C58 1.510(4) . ?
C38 C37 1.360(5) . ?
C37 C36 1.372(5) . ?
C47 C48 1.473(5) . ?
C58 C59 1.533(5) . ?
C48 C49 1.463(5) . ?
C59 C60 1.432(6) . ?
C49 C50 1.580(6) . ?

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
C54 O2 C57 117.7(2) . . ?
C7 N2 C15 125.69(19) . . ?
C00M N2 C15 127.81(18) . . ?
C00M N2 C7 106.22(19) . . ?
C00M N1 C8 104.9(2) . . ?
C44 O1 C47 118.7(2) . . ?
C52 C51 C40 121.6(2) . . ?
C52 C51 C56 117.8(2) . . ?
C56 C51 C40 120.6(2) . . ?
C20 C15 N2 119.7(2) . . ?
C20 C15 C16 121.0(2) . . ?
C16 C15 N2 119.3(2) . . ?
C31 C32 C27 121.6(2) . . ?
N2 C7 C6 132.1(2) . . ?
C8 C7 N2 104.71(19) . . ?
C8 C7 C6 123.1(2) . . ?
C42 C41 C40 121.5(2) . . ?
C42 C41 C46 116.9(2) . . ?
C46 C41 C40 121.5(2) . . ?
N1 C8 C9 126.4(2) . . ?
C7 C8 N1 111.8(2) . . ?
C7 C8 C9 121.9(2) . . ?
C51 C52 C53 121.7(2) . . ?
C10 C9 C8 117.6(2) . . ?
C14 C9 C8 121.7(2) . . ?
C14 C9 C10 120.7(2) . . ?
C39 C34 C33 121.7(2) . . ?
C35 C34 C33 120.7(2) . . ?
C35 C34 C39 117.6(2) . . ?
C41 C40 C51 114.61(19) . . ?
C33 C40 C51 122.6(2) . . ?
C33 C40 C41 122.8(2) . . ?
C32 C31 C30 120.9(2) . . ?
C34 C33 C30 115.22(19) . . ?
C40 C33 C34 123.2(2) . . ?
C40 C33 C30 121.6(2) . . ?
C1 C6 C7 115.4(2) . . ?
C5 C6 C7 125.2(2) . . ?
C5 C6 C1 119.5(2) . . ?
C22 C21 C00M 123.8(2) . . ?
C22 C21 C26 118.1(2) . . ?
C26 C21 C00M 118.2(2) . . ?
C15 C20 C19 119.1(3) . . ?
C54 C53 C52 119.7(2) . . ?
C26 C25 C24 121.0(2) . . ?
N2 C00M C21 124.2(2) . . ?
N1 C00M N2 112.38(19) . . ?
N1 C00M C21 123.3(2) . . ?
C6 C1 C10 121.8(2) . . ?
C2 C1 C6 117.0(2) . . ?
C2 C1 C10 121.2(2) . . ?
C32 C27 C24 122.1(2) . . ?
C28 C27 C32 117.3(2) . . ?
C28 C27 C24 120.6(2) . . ?
C9 C10 C1 120.1(2) . . ?
C9 C10 C11 116.8(2) . . ?
C11 C10 C1 123.0(2) . . ?
C21 C22 C23 120.9(2) . . ?
C25 C24 C27 122.1(2) . . ?
C25 C24 C23 117.7(2) . . ?
C23 C24 C27 120.1(2) . . ?
C31 C30 C33 121.0(2) . . ?
C29 C30 C31 117.7(2) . . ?
C29 C30 C33 121.3(2) . . ?
C43 C42 C41 122.0(2) . . ?
C25 C26 C21 120.9(2) . . ?
C28 C29 C30 121.2(2) . . ?
C13 C14 C9 120.8(2) . . ?
C45 C46 C41 121.8(2) . . ?
C22 C23 C24 121.1(2) . . ?
C42 C43 C44 120.0(2) . . ?
C17 C16 C15 119.1(2) . . ?
C38 C39 C34 120.2(3) . . ?
C18 C19 C20 120.4(3) . . ?
C55 C56 C51 120.9(2) . . ?
O1 C44 C43 125.4(2) . . ?
O1 C44 C45 115.5(2) . . ?
C43 C44 C45 119.0(2) . . ?
C4 C5 C6 121.3(2) . . ?
C3 C2 C1 122.6(2) . . ?
C29 C28 C27 121.3(2) . . ?
C46 C45 C44 120.3(2) . . ?
O2 C54 C53 125.1(2) . . ?
O2 C54 C55 115.7(2) . . ?
C53 C54 C55 119.2(2) . . ?
C14 C13 C12 119.4(3) . . ?
C2 C3 C4 120.0(2) . . ?
C12 C11 C10 121.7(2) . . ?
C5 C4 C3 119.7(3) . . ?
C34 C35 C36 121.7(3) . . ?
C11 C12 C13 120.6(2) . . ?
C18 C17 C16 120.8(3) . . ?
C56 C55 C54 120.7(2) . . ?
C19 C18 C17 119.6(3) . . ?
O2 C57 C58 107.8(3) . . ?
C37 C38 C39 121.5(3) . . ?
C38 C37 C36 119.1(3) . . ?
C37 C36 C35 119.9(3) . . ?
O1 C47 C48 113.7(3) . . ?
C57 C58 C59 116.5(3) . . ?
C49 C48 C47 115.8(4) . . ?
C60 C59 C58 113.2(4) . . ?
C48 C49 C50 109.4(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
