# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_B-QP-AN
_database_code_depnum_ccdc_archive 'CCDC 2486652'
loop_
_audit_author_name
_audit_author_address
'Xinqi Yang'
;Jilin University
China
;
_audit_update_record             
;
2025-09-09 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_audit_creation_date             2025-09-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H28'
_chemical_formula_sum            'C40 H28'
_chemical_formula_weight         508.62
_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'

_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                   16.161(4)
_cell_length_b                   10.122(3)
_cell_length_c                   17.127(5)
_cell_angle_alpha                90
_cell_angle_beta                 92.691(9)
_cell_angle_gamma                90
_cell_volume                     2798.5(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7747
_cell_measurement_temperature    98.0
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.63
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6858
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1058
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            83900
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.022
_diffrn_reflns_theta_max         25.022
_diffrn_reflns_theta_min         2.523
_diffrn_ambient_temperature      98.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2674
_reflns_number_total             4938
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.225
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4938
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1368
_refine_ls_R_factor_gt           0.0736
_refine_ls_restrained_S_all      1.116
_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)+(0.1554P)²+0.0066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1898
_refine_ls_wR_factor_ref         0.2662
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C006(H006), C008(H008), C009(H009), C00C(H00C), C00D(H00D), C00E(H00E),
 C00G(H00G), C00I(H00I), C00J(H00J), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010),
 C011(H011), C012(H012), C013(H013), C014(H014)
;
_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
C001 C 0.78025(18) 0.5808(3) 0.91801(18) 0.0643(8) Uani 1 1 d . . . . .
C002 C 0.62338(18) 0.4777(3) 0.71599(18) 0.0627(8) Uani 1 1 d . . . . .
C003 C 0.6881(2) 0.6104(3) 0.48700(18) 0.0660(8) Uani 1 1 d . . . . .
C004 C 0.64554(19) 0.5325(3) 0.63892(18) 0.0633(8) Uani 1 1 d . . . . .
C005 C 0.67746(18) 0.5119(3) 0.78550(17) 0.0624(8) Uani 1 1 d . . . . .
C006 C 0.7481(2) 0.5824(3) 0.54475(19) 0.0687(8) Uani 1 1 d . . . . .
H006 H 0.804783 0.588281 0.532777 0.082 Uiso 1 1 calc R U . . .
C007 C 0.53117(19) 0.2010(3) 0.80391(18) 0.0664(8) Uani 1 1 d . . . . .
C008 C 0.6988(2) 0.6427(3) 0.80175(19) 0.0675(8) Uani 1 1 d . . . . .
H008 H 0.678891 0.710320 0.767280 0.081 Uiso 1 1 calc R U . . .
C009 C 0.72820(19) 0.5460(3) 0.61950(19) 0.0669(8) Uani 1 1 d . . . . .
H009 H 0.771212 0.530135 0.658077 0.080 Uiso 1 1 calc R U . . .
C00A C 0.83258(19) 0.6174(3) 0.98868(18) 0.0695(9) Uani 1 1 d . . . . .
C00B C 0.4964(2) 0.1423(3) 0.8710(2) 0.0722(9) Uani 1 1 d . . . . .
C00C C 0.7105(2) 0.4158(3) 0.83659(19) 0.0685(8) Uani 1 1 d . . . . .
H00C H 0.697726 0.325460 0.827016 0.082 Uiso 1 1 calc R U . . .
C00D C 0.7480(2) 0.6765(3) 0.86668(18) 0.0683(8) Uani 1 1 d . . . . .
H00D H 0.760228 0.766992 0.876565 0.082 Uiso 1 1 calc R U . . .
C00E C 0.76090(19) 0.4489(3) 0.9002(2) 0.0701(9) Uani 1 1 d . . . . .
H00E H 0.783241 0.380795 0.933014 0.084 Uiso 1 1 calc R U . . .
C00F C 0.52384(19) 0.3385(3) 0.79132(18) 0.0682(8) Uani 1 1 d . . . . .
C00G C 0.5582(2) 0.3966(3) 0.72036(19) 0.0716(9) Uani 1 1 d . . . . .
H00G H 0.530670 0.373488 0.672047 0.086 Uiso 1 1 calc R U . . .
C00H C 0.4797(2) 0.4170(3) 0.8429(2) 0.0715(9) Uani 1 1 d . . . . .
C00I C 0.57228(19) 0.1161(3) 0.7521(2) 0.0743(9) Uani 1 1 d . . . . .
H00I H 0.595841 0.152646 0.707143 0.089 Uiso 1 1 calc R U . . .
C00J C 0.5855(2) 0.5681(3) 0.5820(2) 0.0727(9) Uani 1 1 d . . . . .
H00J H 0.528790 0.566853 0.594421 0.087 Uiso 1 1 calc R U . . .
C00K C 0.4444(2) 0.3575(3) 0.9094(2) 0.0785(10) Uani 1 1 d . . . . .
C00L C 0.7081(2) 0.6366(3) 0.4049(2) 0.0758(9) Uani 1 1 d . . . . .
C00M C 0.6061(2) 0.6052(3) 0.5082(2) 0.0746(9) Uani 1 1 d . . . . .
H00M H 0.563317 0.627776 0.470727 0.089 Uiso 1 1 calc R U . . .
C00N C 0.4545(2) 0.2227(4) 0.9223(2) 0.0802(10) Uani 1 1 d . . . . .
H00N H 0.432204 0.184180 0.967333 0.096 Uiso 1 1 calc R U . . .
C00O C 0.5787(2) -0.0158(4) 0.7653(2) 0.0817(10) Uani 1 1 d . . . . .
H00O H 0.606058 -0.070109 0.729363 0.098 Uiso 1 1 calc R U . . .
C00P C 0.5052(2) 0.0028(4) 0.8825(2) 0.0838(10) Uani 1 1 d . . . . .
H00P H 0.482555 -0.037454 0.926791 0.101 Uiso 1 1 calc R U . . .
C00Q C 0.8256(2) 0.7388(4) 1.0247(2) 0.0854(10) Uani 1 1 d . . . . .
H00Q H 0.787594 0.801942 1.002977 0.102 Uiso 1 1 calc R U . . .
C00R C 0.4649(2) 0.5547(4) 0.8302(2) 0.0895(11) Uani 1 1 d . . . . .
H00R H 0.487583 0.596710 0.786489 0.107 Uiso 1 1 calc R U . . .
C00S C 0.5454(2) -0.0724(4) 0.8312(2) 0.0878(11) Uani 1 1 d . . . . .
H00S H 0.551124 -0.164634 0.840143 0.105 Uiso 1 1 calc R U . . .
C00T C 0.3989(3) 0.4388(4) 0.9604(2) 0.0990(12) Uani 1 1 d . . . . .
H00T H 0.376806 0.400732 1.005605 0.119 Uiso 1 1 calc R U . . .
C00U C 0.8730(3) 0.7708(4) 1.0922(2) 0.0945(12) Uani 1 1 d . . . . .
H00U H 0.866817 0.855039 1.115765 0.113 Uiso 1 1 calc R U . . .
C00V C 0.6613(3) 0.7224(4) 0.3581(2) 0.0997(12) Uani 1 1 d . . . . .
H00V H 0.617594 0.771204 0.379644 0.120 Uiso 1 1 calc R U . . .
C00W C 0.9274(3) 0.6833(5) 1.1243(2) 0.1007(12) Uani 1 1 d . . . . .
H00W H 0.958929 0.704711 1.170759 0.121 Uiso 1 1 calc R U . . .
C00X C 0.7724(3) 0.5682(4) 0.3713(2) 0.0991(12) Uani 1 1 d . . . . .
H00X H 0.805113 0.508204 0.402187 0.119 Uiso 1 1 calc R U . . .
C00Y C 0.8900(3) 0.5308(4) 1.0221(3) 0.1083(14) Uani 1 1 d . . . . .
H00Y H 0.897542 0.446982 0.998485 0.130 Uiso 1 1 calc R U . . .
C00Z C 0.4195(3) 0.6261(4) 0.8786(3) 0.1113(15) Uani 1 1 d . . . . .
H00Z H 0.409345 0.716870 0.867884 0.134 Uiso 1 1 calc R U . . .
C010 C 0.3866(3) 0.5669(5) 0.9459(3) 0.1164(15) Uani 1 1 d . . . . .
H010 H 0.355924 0.618768 0.980614 0.140 Uiso 1 1 calc R U . . .
C011 C 0.6781(3) 0.7376(6) 0.2789(3) 0.1284(19) Uani 1 1 d . . . . .
H011 H 0.645640 0.796466 0.246934 0.154 Uiso 1 1 calc R U . . .
C012 C 0.7414(4) 0.6674(7) 0.2474(3) 0.137(2) Uani 1 1 d . . . . .
H012 H 0.751467 0.675867 0.193413 0.164 Uiso 1 1 calc R U . . .
C013 C 0.7891(4) 0.5867(6) 0.2931(3) 0.1294(17) Uani 1 1 d . . . . .
H013 H 0.834541 0.542046 0.271708 0.155 Uiso 1 1 calc R U . . .
C014 C 0.9367(3) 0.5633(5) 1.0891(3) 0.1260(18) Uani 1 1 d . . . . .
H014 H 0.975636 0.501688 1.110901 0.151 Uiso 1 1 calc R U . . .


_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
C001 C00A 1.490(4) . ?
C001 C00D 1.393(4) . ?
C001 C00E 1.401(4) . ?
C002 C004 1.491(4) . ?
C002 C005 1.484(4) . ?
C002 C00G 1.341(4) . ?
C003 C006 1.382(4) . ?
C003 C00L 1.482(4) . ?
C003 C00M 1.390(4) . ?
C004 C009 1.398(4) . ?
C004 C00J 1.391(4) . ?
C005 C008 1.392(4) . ?
C005 C00C 1.398(4) . ?
C006 H006 0.9500 . ?
C006 C009 1.384(4) . ?
C007 C00B 1.431(4) . ?
C007 C00F 1.413(4) . ?
C007 C00I 1.422(4) . ?
C008 H008 0.9500 . ?
C008 C00D 1.380(4) . ?
C009 H009 0.9500 . ?
C00A C00Q 1.382(5) . ?
C00A C00Y 1.380(5) . ?
C00B C00N 1.396(5) . ?
C00B C00P 1.432(5) . ?
C00C H00C 0.9500 . ?
C00C C00E 1.371(4) . ?
C00D H00D 0.9500 . ?
C00E H00E 0.9500 . ?
C00F C00G 1.481(4) . ?
C00F C00H 1.407(4) . ?
C00G H00G 0.9500 . ?
C00H C00K 1.431(5) . ?
C00H C00R 1.429(5) . ?
C00I H00I 0.9500 . ?
C00I C00O 1.357(5) . ?
C00J H00J 0.9500 . ?
C00J C00M 1.374(5) . ?
C00K C00N 1.390(5) . ?
C00K C00T 1.428(5) . ?
C00L C00V 1.383(5) . ?
C00L C00X 1.394(5) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00O H00O 0.9500 . ?
C00O C00S 1.396(5) . ?
C00P H00P 0.9500 . ?
C00P C00S 1.351(5) . ?
C00Q H00Q 0.9500 . ?
C00Q C00U 1.395(5) . ?
C00R H00R 0.9500 . ?
C00R C00Z 1.343(5) . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9500 . ?
C00T C010 1.332(6) . ?
C00U H00U 0.9500 . ?
C00U C00W 1.347(6) . ?
C00V H00V 0.9500 . ?
C00V C011 1.405(6) . ?
C00W H00W 0.9500 . ?
C00W C014 1.367(6) . ?
C00X H00X 0.9500 . ?
C00X C013 1.391(6) . ?
C00Y H00Y 0.9500 . ?
C00Y C014 1.385(6) . ?
C00Z H00Z 0.9500 . ?
C00Z C010 1.424(6) . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C012 1.376(8) . ?
C012 H012 0.9500 . ?
C012 C013 1.349(8) . ?
C013 H013 0.9500 . ?
C014 H014 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
C00D C001 C00A 121.4(3) . . ?
C00D C001 C00E 116.9(3) . . ?
C00E C001 C00A 121.7(3) . . ?
C005 C002 C004 117.8(3) . . ?
C00G C002 C004 120.0(3) . . ?
C00G C002 C005 122.2(3) . . ?
C006 C003 C00L 122.6(3) . . ?
C006 C003 C00M 116.8(3) . . ?
C00M C003 C00L 120.6(3) . . ?
C009 C004 C002 121.3(3) . . ?
C00J C004 C002 121.9(3) . . ?
C00J C004 C009 116.8(3) . . ?
C008 C005 C002 120.9(3) . . ?
C008 C005 C00C 116.9(3) . . ?
C00C C005 C002 122.2(3) . . ?
C003 C006 H006 119.0 . . ?
C003 C006 C009 122.0(3) . . ?
C009 C006 H006 119.0 . . ?
C00F C007 C00B 119.9(3) . . ?
C00F C007 C00I 122.6(3) . . ?
C00I C007 C00B 117.6(3) . . ?
C005 C008 H008 119.2 . . ?
C00D C008 C005 121.7(3) . . ?
C00D C008 H008 119.2 . . ?
C004 C009 H009 119.6 . . ?
C006 C009 C004 120.8(3) . . ?
C006 C009 H009 119.6 . . ?
C00Q C00A C001 121.9(3) . . ?
C00Y C00A C001 121.6(3) . . ?
C00Y C00A C00Q 116.6(3) . . ?
C007 C00B C00P 118.6(3) . . ?
C00N C00B C007 119.0(3) . . ?
C00N C00B C00P 122.4(3) . . ?
C005 C00C H00C 119.2 . . ?
C00E C00C C005 121.5(3) . . ?
C00E C00C H00C 119.2 . . ?
C001 C00D H00D 119.3 . . ?
C008 C00D C001 121.3(3) . . ?
C008 C00D H00D 119.3 . . ?
C001 C00E H00E 119.2 . . ?
C00C C00E C001 121.6(3) . . ?
C00C C00E H00E 119.2 . . ?
C007 C00F C00G 118.9(3) . . ?
C00H C00F C007 120.1(3) . . ?
C00H C00F C00G 120.8(3) . . ?
C002 C00G C00F 127.9(3) . . ?
C002 C00G H00G 116.0 . . ?
C00F C00G H00G 116.0 . . ?
C00F C00H C00K 119.7(3) . . ?
C00F C00H C00R 122.8(3) . . ?
C00R C00H C00K 117.5(3) . . ?
C007 C00I H00I 119.2 . . ?
C00O C00I C007 121.6(3) . . ?
C00O C00I H00I 119.2 . . ?
C004 C00J H00J 119.2 . . ?
C00M C00J C004 121.5(3) . . ?
C00M C00J H00J 119.2 . . ?
C00N C00K C00H 119.4(3) . . ?
C00N C00K C00T 121.9(3) . . ?
C00T C00K C00H 118.7(3) . . ?
C00V C00L C003 121.5(3) . . ?
C00V C00L C00X 118.1(4) . . ?
C00X C00L C003 120.2(3) . . ?
C003 C00M H00M 119.1 . . ?
C00J C00M C003 121.8(3) . . ?
C00J C00M H00M 119.1 . . ?
C00B C00N H00N 119.0 . . ?
C00K C00N C00B 121.9(3) . . ?
C00K C00N H00N 119.0 . . ?
C00I C00O H00O 119.7 . . ?
C00I C00O C00S 120.6(4) . . ?
C00S C00O H00O 119.7 . . ?
C00B C00P H00P 119.5 . . ?
C00S C00P C00B 120.9(3) . . ?
C00S C00P H00P 119.5 . . ?
C00A C00Q H00Q 119.2 . . ?
C00A C00Q C00U 121.6(4) . . ?
C00U C00Q H00Q 119.2 . . ?
C00H C00R H00R 119.2 . . ?
C00Z C00R C00H 121.6(4) . . ?
C00Z C00R H00R 119.2 . . ?
C00O C00S H00S 119.7 . . ?
C00P C00S C00O 120.6(3) . . ?
C00P C00S H00S 119.7 . . ?
C00K C00T H00T 119.2 . . ?
C010 C00T C00K 121.6(4) . . ?
C010 C00T H00T 119.2 . . ?
C00Q C00U H00U 119.8 . . ?
C00W C00U C00Q 120.5(4) . . ?
C00W C00U H00U 119.8 . . ?
C00L C00V H00V 119.9 . . ?
C00L C00V C011 120.2(5) . . ?
C011 C00V H00V 119.9 . . ?
C00U C00W H00W 120.4 . . ?
C00U C00W C014 119.2(4) . . ?
C014 C00W H00W 120.4 . . ?
C00L C00X H00X 119.6 . . ?
C013 C00X C00L 120.8(4) . . ?
C013 C00X H00X 119.6 . . ?
C00A C00Y H00Y 119.3 . . ?
C00A C00Y C014 121.5(4) . . ?
C014 C00Y H00Y 119.3 . . ?
C00R C00Z H00Z 119.7 . . ?
C00R C00Z C010 120.6(4) . . ?
C010 C00Z H00Z 119.7 . . ?
C00T C010 C00Z 120.1(4) . . ?
C00T C010 H010 120.0 . . ?
C00Z C010 H010 120.0 . . ?
C00V C011 H011 119.9 . . ?
C012 C011 C00V 120.2(5) . . ?
C012 C011 H011 119.9 . . ?
C011 C012 H012 120.0 . . ?
C013 C012 C011 120.0(5) . . ?
C013 C012 H012 120.0 . . ?
C00X C013 H013 119.7 . . ?
C012 C013 C00X 120.6(5) . . ?
C012 C013 H013 119.7 . . ?
C00W C014 C00Y 120.6(4) . . ?
C00W C014 H014 119.7 . . ?
C00Y C014 H014 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C001 C00A C00Q C00U 178.0(3) . . . . ?
C001 C00A C00Y C014 -178.0(4) . . . . ?
C002 C004 C009 C006 172.4(3) . . . . ?
C002 C004 C00J C00M -172.9(3) . . . . ?
C002 C005 C008 C00D 179.1(3) . . . . ?
C002 C005 C00C C00E 179.5(3) . . . . ?
C003 C006 C009 C004 1.9(5) . . . . ?
C003 C00L C00V C011 -175.2(4) . . . . ?
C003 C00L C00X C013 176.6(4) . . . . ?
C004 C002 C005 C008 50.5(4) . . . . ?
C004 C002 C005 C00C -128.3(3) . . . . ?
C004 C002 C00G C00F -176.3(3) . . . . ?
C004 C00J C00M C003 -0.8(5) . . . . ?
C005 C002 C004 C009 36.6(4) . . . . ?
C005 C002 C004 C00J -145.7(3) . . . . ?
C005 C002 C00G C00F 6.1(5) . . . . ?
C005 C008 C00D C001 1.5(5) . . . . ?
C005 C00C C00E C001 1.4(5) . . . . ?
C006 C003 C00L C00V -147.9(4) . . . . ?
C006 C003 C00L C00X 36.0(5) . . . . ?
C006 C003 C00M C00J -2.9(5) . . . . ?
C007 C00B C00N C00K 1.1(5) . . . . ?
C007 C00B C00P C00S -0.1(5) . . . . ?
C007 C00F C00G C002 -111.6(4) . . . . ?
C007 C00F C00H C00K 1.8(5) . . . . ?
C007 C00F C00H C00R -175.2(3) . . . . ?
C007 C00I C00O C00S -0.6(5) . . . . ?
C008 C005 C00C C00E 0.6(4) . . . . ?
C009 C004 C00J C00M 4.9(5) . . . . ?
C00A C001 C00D C008 -179.2(3) . . . . ?
C00A C001 C00E C00C 177.8(3) . . . . ?
C00A C00Q C00U C00W 0.1(6) . . . . ?
C00A C00Y C014 C00W -0.2(8) . . . . ?
C00B C007 C00F C00G -178.2(3) . . . . ?
C00B C007 C00F C00H -2.4(5) . . . . ?
C00B C007 C00I C00O -0.1(5) . . . . ?
C00B C00P C00S C00O -0.6(6) . . . . ?
C00C C005 C008 C00D -2.0(4) . . . . ?
C00D C001 C00A C00Q 26.6(5) . . . . ?
C00D C001 C00A C00Y -154.1(4) . . . . ?
C00D C001 C00E C00C -2.0(4) . . . . ?
C00E C001 C00A C00Q -153.1(3) . . . . ?
C00E C001 C00A C00Y 26.1(5) . . . . ?
C00E C001 C00D C008 0.6(4) . . . . ?
C00F C007 C00B C00N 1.0(5) . . . . ?
C00F C007 C00B C00P -179.6(3) . . . . ?
C00F C007 C00I C00O 179.9(3) . . . . ?
C00F C00H C00K C00N 0.2(5) . . . . ?
C00F C00H C00K C00T -179.2(3) . . . . ?
C00F C00H C00R C00Z 177.1(4) . . . . ?
C00G C002 C004 C009 -141.1(3) . . . . ?
C00G C002 C004 C00J 36.6(4) . . . . ?
C00G C002 C005 C008 -131.9(3) . . . . ?
C00G C002 C005 C00C 49.3(4) . . . . ?
C00G C00F C00H C00K 177.6(3) . . . . ?
C00G C00F C00H C00R 0.5(5) . . . . ?
C00H C00F C00G C002 72.6(5) . . . . ?
C00H C00K C00N C00B -1.7(5) . . . . ?
C00H C00K C00T C010 2.1(6) . . . . ?
C00H C00R C00Z C010 1.8(7) . . . . ?
C00I C007 C00B C00N -179.0(3) . . . . ?
C00I C007 C00B C00P 0.4(4) . . . . ?
C00I C007 C00F C00G 1.7(5) . . . . ?
C00I C007 C00F C00H 177.5(3) . . . . ?
C00I C00O C00S C00P 1.0(6) . . . . ?
C00J C004 C009 C006 -5.4(4) . . . . ?
C00K C00H C00R C00Z 0.0(6) . . . . ?
C00K C00T C010 C00Z -0.3(7) . . . . ?
C00L C003 C006 C009 -173.8(3) . . . . ?
C00L C003 C00M C00J 173.3(3) . . . . ?
C00L C00V C011 C012 -0.2(7) . . . . ?
C00L C00X C013 C012 -2.6(8) . . . . ?
C00M C003 C006 C009 2.3(5) . . . . ?
C00M C003 C00L C00V 36.1(5) . . . . ?
C00M C003 C00L C00X -140.0(4) . . . . ?
C00N C00B C00P C00S 179.3(3) . . . . ?
C00N C00K C00T C010 -177.3(4) . . . . ?
C00P C00B C00N C00K -178.3(3) . . . . ?
C00Q C00A C00Y C014 1.3(7) . . . . ?
C00Q C00U C00W C014 1.1(7) . . . . ?
C00R C00H C00K C00N 177.5(3) . . . . ?
C00R C00H C00K C00T -1.9(5) . . . . ?
C00R C00Z C010 C00T -1.7(8) . . . . ?
C00T C00K C00N C00B 177.6(3) . . . . ?
C00U C00W C014 C00Y -1.0(8) . . . . ?
C00V C00L C00X C013 0.5(6) . . . . ?
C00V C011 C012 C013 -2.0(8) . . . . ?
C00X C00L C00V C011 0.9(6) . . . . ?
C00Y C00A C00Q C00U -1.3(6) . . . . ?
C011 C012 C013 C00X 3.3(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_QP-AN
_database_code_depnum_ccdc_archive 'CCDC 2486653'
loop_
_audit_author_name
_audit_author_address
'Xinqi Yang'
;Jilin University
China
;
_audit_update_record             
;
2025-09-09 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_audit_creation_date             2022-07-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H28'
_chemical_formula_sum            'C40 H28'
_chemical_formula_weight         508.62
_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'

_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                   16.173(3)
_cell_length_b                   10.0722(13)
_cell_length_c                   18.069(3)
_cell_angle_alpha                90
_cell_angle_beta                 109.761(5)
_cell_angle_gamma                90
_cell_volume                     2770.1(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.66
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.15
_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  0.0912
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            110696
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.555
_diffrn_reflns_theta_min         2.425
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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                3684
_reflns_number_total             6383
_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 V8.40A (?, 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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.169
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0579
_refine_ls_restrained_S_all      1.042
_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)+(0.0709P)²+1.0405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1796
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C005(H005), C006(H006), C009(H009), C00A(H00A), C00D(H00D), C00E(H00E),
 C00G(H00G), C00H(H00H), C00J(H00J), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010),
 C011(H011), C012(H012), C013(H013), C014(H014)
;
_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
C001 C 0.10353(13) 0.49560(19) 0.72524(12) 0.0450(5) Uani 1 1 d . . . . .
C002 C 0.23509(13) 0.5199(2) 0.68067(11) 0.0451(5) Uani 1 1 d . . . . .
C003 C 0.03352(13) 0.4039(2) 0.83982(12) 0.0473(5) Uani 1 1 d . . . . .
C004 C 0.14150(13) 0.5533(2) 0.66774(11) 0.0459(5) Uani 1 1 d . . . . .
C005 C 0.15626(13) 0.4810(2) 0.80399(12) 0.0471(5) Uani 1 1 d . . . . .
H005 H 0.2157 0.5019 0.8191 0.057 Uiso 1 1 calc R . . . .
C006 C 0.12189(13) 0.4363(2) 0.85972(12) 0.0496(5) Uani 1 1 d . . . . .
H006 H 0.1586 0.4277 0.9117 0.060 Uiso 1 1 calc R . . . .
C007 C 0.12124(13) 0.8447(2) 0.54721(12) 0.0496(5) Uani 1 1 d . . . . .
C008 C 0.41307(14) 0.4538(2) 0.70664(12) 0.0476(5) Uani 1 1 d . . . . .
C009 C 0.26285(14) 0.3883(2) 0.68546(12) 0.0493(5) Uani 1 1 d . . . . .
H009 H 0.2223 0.3206 0.6810 0.059 Uiso 1 1 calc R . . . .
C00A C 0.34917(14) 0.3560(2) 0.69672(13) 0.0518(5) Uani 1 1 d . . . . .
H00A H 0.3651 0.2672 0.6977 0.062 Uiso 1 1 calc R . . . .
C00B C 0.12556(13) 0.7041(2) 0.55203(11) 0.0496(5) Uani 1 1 d . . . . .
C00C C 0.16057(14) 0.6327(2) 0.50230(11) 0.0510(5) Uani 1 1 d . . . . .
C00D C -0.01870(14) 0.4165(2) 0.76128(13) 0.0530(5) Uani 1 1 d . . . . .
H00D H -0.0780 0.3945 0.7461 0.064 Uiso 1 1 calc R . . . .
C00E C 0.09500(14) 0.6365(2) 0.61101(12) 0.0512(5) Uani 1 1 d . . . . .
H00E H 0.0375 0.6536 0.6083 0.061 Uiso 1 1 calc R . . . .
C00F C 0.50737(14) 0.4191(2) 0.72495(12) 0.0529(5) Uani 1 1 d . . . . .
C00G C 0.29798(14) 0.6174(2) 0.68894(13) 0.0526(5) Uani 1 1 d . . . . .
H00G H 0.2815 0.7063 0.6856 0.063 Uiso 1 1 calc R . . . .
C00H C 0.01551(14) 0.4609(2) 0.70518(13) 0.0523(5) Uani 1 1 d . . . . .
H00H H -0.0211 0.4677 0.6531 0.063 Uiso 1 1 calc R . . . .
C00I C -0.00261(14) 0.3544(2) 0.90031(13) 0.0538(5) Uani 1 1 d . . . . .
C00J C 0.38487(15) 0.5851(2) 0.70210(13) 0.0554(5) Uani 1 1 d . . . . .
H00J H 0.4256 0.6529 0.7081 0.066 Uiso 1 1 calc R . . . .
C00K C 0.19686(14) 0.7021(2) 0.45106(12) 0.0562(6) Uani 1 1 d . . . . .
C00L C 0.15286(14) 0.9120(2) 0.49219(13) 0.0550(5) Uani 1 1 d . . . . .
C00M C 0.08831(15) 0.9228(2) 0.59638(13) 0.0586(6) Uani 1 1 d . . . . .
H00M H 0.0688 0.8812 0.6334 0.070 Uiso 1 1 calc R . . . .
C00N C 0.19070(15) 0.8393(3) 0.44665(14) 0.0628(6) Uani 1 1 d . . . . .
H00N H 0.2126 0.8840 0.4122 0.075 Uiso 1 1 calc R . . . .
C00O C 0.16327(17) 0.4913(2) 0.50071(13) 0.0623(6) Uani 1 1 d . . . . .
H00O H 0.1363 0.4428 0.5300 0.075 Uiso 1 1 calc R . . . .
C00P C 0.08466(17) 1.0577(3) 0.59032(15) 0.0677(7) Uani 1 1 d . . . . .
H00P H 0.0627 1.1071 0.6230 0.081 Uiso 1 1 calc R . . . .
C00Q C 0.14696(17) 1.0531(3) 0.48757(17) 0.0699(7) Uani 1 1 d . . . . .
H00Q H 0.1662 1.0979 0.4514 0.084 Uiso 1 1 calc R . . . .
C00R C 0.11402(18) 1.1225(3) 0.53470(17) 0.0742(7) Uani 1 1 d . . . . .
H00R H 0.1106 1.2145 0.5306 0.089 Uiso 1 1 calc R . . . .
C00S C -0.08099(17) 0.4023(3) 0.90468(16) 0.0726(7) Uani 1 1 d . . . . .
H00S H -0.1119 0.4667 0.8692 0.087 Uiso 1 1 calc R . . . .
C00T C 0.23997(18) 0.6282(3) 0.40727(15) 0.0715(7) Uani 1 1 d . . . . .
H00T H 0.2651 0.6730 0.3751 0.086 Uiso 1 1 calc R . . . .
C00U C 0.04186(18) 0.2592(3) 0.95460(15) 0.0725(7) Uani 1 1 d . . . . .
H00U H 0.0951 0.2263 0.9533 0.087 Uiso 1 1 calc R . . . .
C00V C 0.68571(18) 0.3523(4) 0.76502(16) 0.0805(8) Uani 1 1 d . . . . .
H00V H 0.7448 0.3302 0.7787 0.097 Uiso 1 1 calc R . . . .
C00W C 0.2043(2) 0.4260(3) 0.45741(15) 0.0769(8) Uani 1 1 d . . . . .
H00W H 0.2055 0.3337 0.4580 0.092 Uiso 1 1 calc R . . . .
C00X C 0.2449(2) 0.4952(3) 0.41165(17) 0.0809(8) Uani 1 1 d . . . . .
H00X H 0.2753 0.4490 0.3844 0.097 Uiso 1 1 calc R . . . .
C00Y C 0.57056(18) 0.5144(3) 0.73035(19) 0.0806(8) Uani 1 1 d . . . . .
H00Y H 0.5537 0.6028 0.7203 0.097 Uiso 1 1 calc R . . . .
C00Z C 0.53671(17) 0.2904(3) 0.7395(2) 0.0851(9) Uani 1 1 d . . . . .
H00Z H 0.4961 0.2232 0.7361 0.102 Uiso 1 1 calc R . . . .
C010 C 0.65891(19) 0.4809(4) 0.7505(2) 0.0913(9) Uani 1 1 d . . . . .
H010 H 0.7002 0.5471 0.7541 0.110 Uiso 1 1 calc R . . . .
C011 C -0.1140(2) 0.3559(4) 0.96116(19) 0.0941(10) Uani 1 1 d . . . . .
H011 H -0.1665 0.3898 0.9637 0.113 Uiso 1 1 calc R . . . .
C012 C 0.6246(2) 0.2576(4) 0.7592(2) 0.0962(10) Uani 1 1 d . . . . .
H012 H 0.6418 0.1693 0.7684 0.115 Uiso 1 1 calc R . . . .
C013 C 0.0082(2) 0.2127(4) 1.01064(17) 0.0937(10) Uani 1 1 d . . . . .
H013 H 0.0388 0.1487 1.0466 0.112 Uiso 1 1 calc R . . . .
C014 C -0.0698(2) 0.2604(4) 1.01322(19) 0.0988(11) Uani 1 1 d . . . . .
H014 H -0.0928 0.2280 1.0504 0.119 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
C001 C004 1.492(3) . ?
C001 C005 1.397(3) . ?
C001 C00H 1.390(3) . ?
C002 C004 1.490(3) . ?
C002 C009 1.393(3) . ?
C002 C00G 1.385(3) . ?
C003 C006 1.390(3) . ?
C003 C00D 1.390(3) . ?
C003 C00I 1.489(3) . ?
C004 C00E 1.341(3) . ?
C005 C006 1.380(3) . ?
C007 C00B 1.419(3) . ?
C007 C00L 1.433(3) . ?
C007 C00M 1.418(3) . ?
C008 C00A 1.395(3) . ?
C008 C00F 1.489(3) . ?
C008 C00J 1.392(3) . ?
C009 C00A 1.380(3) . ?
C00B C00C 1.411(3) . ?
C00B C00E 1.483(3) . ?
C00C C00K 1.435(3) . ?
C00C C00O 1.425(3) . ?
C00D C00H 1.383(3) . ?
C00F C00Y 1.382(3) . ?
C00F C00Z 1.374(3) . ?
C00G C00J 1.383(3) . ?
C00I C00S 1.384(3) . ?
C00I C00U 1.386(3) . ?
C00K C00N 1.385(3) . ?
C00K C00T 1.428(3) . ?
C00L C00N 1.389(3) . ?
C00L C00Q 1.426(3) . ?
C00M C00P 1.363(3) . ?
C00O C00W 1.354(3) . ?
C00P C00R 1.409(4) . ?
C00Q C00R 1.343(4) . ?
C00S C011 1.383(4) . ?
C00T C00X 1.342(4) . ?
C00U C013 1.384(4) . ?
C00V C010 1.363(4) . ?
C00V C012 1.352(4) . ?
C00W C00X 1.404(4) . ?
C00Y C010 1.392(4) . ?
C00Z C012 1.384(4) . ?
C011 C014 1.366(5) . ?
C013 C014 1.366(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
C005 C001 C004 119.78(18) . . ?
C00H C001 C004 122.88(18) . . ?
C00H C001 C005 117.25(18) . . ?
C009 C002 C004 120.90(18) . . ?
C00G C002 C004 121.78(18) . . ?
C00G C002 C009 117.31(19) . . ?
C006 C003 C00D 117.35(19) . . ?
C006 C003 C00I 120.88(19) . . ?
C00D C003 C00I 121.75(19) . . ?
C002 C004 C001 116.01(16) . . ?
C00E C004 C001 121.29(19) . . ?
C00E C004 C002 122.59(18) . . ?
C006 C005 C001 121.30(19) . . ?
C005 C006 C003 121.37(19) . . ?
C00B C007 C00L 119.5(2) . . ?
C00M C007 C00B 122.4(2) . . ?
C00M C007 C00L 118.1(2) . . ?
C00A C008 C00F 121.43(19) . . ?
C00J C008 C00A 116.69(19) . . ?
C00J C008 C00F 121.81(19) . . ?
C00A C009 C002 121.45(19) . . ?
C009 C00A C008 121.5(2) . . ?
C007 C00B C00E 118.75(19) . . ?
C00C C00B C007 119.47(19) . . ?
C00C C00B C00E 121.76(19) . . ?
C00B C00C C00K 120.2(2) . . ?
C00B C00C C00O 123.0(2) . . ?
C00O C00C C00K 116.9(2) . . ?
C00H C00D C003 121.5(2) . . ?
C004 C00E C00B 126.8(2) . . ?
C00Y C00F C008 122.0(2) . . ?
C00Z C00F C008 121.7(2) . . ?
C00Z C00F C00Y 116.3(2) . . ?
C00J C00G C002 121.2(2) . . ?
C00D C00H C001 121.23(19) . . ?
C00S C00I C003 121.3(2) . . ?
C00S C00I C00U 117.9(2) . . ?
C00U C00I C003 120.9(2) . . ?
C00G C00J C008 121.9(2) . . ?
C00N C00K C00C 119.1(2) . . ?
C00N C00K C00T 121.8(2) . . ?
C00T C00K C00C 119.1(2) . . ?
C00N C00L C007 119.6(2) . . ?
C00N C00L C00Q 121.7(2) . . ?
C00Q C00L C007 118.7(2) . . ?
C00P C00M C007 121.2(2) . . ?
C00K C00N C00L 121.9(2) . . ?
C00W C00O C00C 121.4(2) . . ?
C00M C00P C00R 120.2(2) . . ?
C00R C00Q C00L 121.0(2) . . ?
C00Q C00R C00P 120.9(2) . . ?
C00I C00S C011 120.9(3) . . ?
C00X C00T C00K 121.2(3) . . ?
C013 C00U C00I 120.9(3) . . ?
C012 C00V C010 118.6(3) . . ?
C00O C00W C00X 121.2(3) . . ?
C00T C00X C00W 120.0(3) . . ?
C00F C00Y C010 121.3(3) . . ?
C00F C00Z C012 122.2(3) . . ?
C00V C010 C00Y 120.8(3) . . ?
C014 C011 C00S 120.2(3) . . ?
C00V C012 C00Z 120.8(3) . . ?
C014 C013 C00U 120.1(3) . . ?
C013 C014 C011 120.0(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
