# Supplementary Information (SI) for Journal of Materials Chemistry B.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2499346'
loop_
_audit_author_name
_audit_author_address
zhu
;Hebei university of science and technology
China
;
_audit_update_record             
;
2025-10-31 deposited with the CCDC.	2026-04-22 downloaded from the CCDC.
;
_audit_creation_date             2025-05-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H26 N2 O3'
_chemical_formula_sum            'C34 H26 N2 O3'
_chemical_formula_weight         510.57
_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'
O O 0.0106 0.0060 '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                   17.083(7)
_cell_length_b                   9.739(4)
_cell_length_c                   17.448(7)
_cell_angle_alpha                90
_cell_angle_beta                 115.555(12)
_cell_angle_gamma                90
_cell_volume                     2619(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5243
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      21.10
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.982
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6059
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0746 before and 0.0664 after correction.
The Ratio of minimum to maximum transmission is 0.8131.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33532
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.072
_diffrn_reflns_theta_max         25.072
_diffrn_reflns_theta_min         2.459
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2622
_reflns_number_total             4627
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4627
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1298
_refine_ls_R_factor_gt           0.0649
_refine_ls_restrained_S_all      1.009
_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)+(0.0772P)²+1.5549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1811
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C00B(H00B), C00G(H00G), C00H(H00H)
2.b Aromatic/amide H refined with riding coordinates:
 C007(H007), C00C(H00C), C00F(H00F), C00J(H00J), C00L(H00L), C00M(H00M),
 C00N(H00N), C00O(H00O), 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)
2.c Idealised tetrahedral OH refined as rotating group:
 O004(H004)
;
_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
O001 O 0.43657(14) 0.7125(3) 0.08388(14) 0.0621(7) Uani 1 1 d . . . . .
O002 O 0.65362(14) 0.4336(3) 0.12154(16) 0.0693(7) Uani 1 1 d . . . . .
N003 N 0.56920(15) 0.6335(3) 0.18202(16) 0.0451(7) Uani 1 1 d . . . . .
O004 O 0.70721(17) 0.2537(3) 0.07347(18) 0.0778(8) Uani 1 1 d . . . . .
H004 H 0.6618 0.2322 0.0330 0.117 Uiso 1 1 calc R U . . .
N005 N 0.46934(18) 0.3150(3) 0.39508(19) 0.0610(8) Uani 1 1 d . . . . .
C006 C 0.65698(18) 0.7344(3) 0.12710(18) 0.0415(8) Uani 1 1 d . . . . .
C007 C 0.5900(2) 0.5611(3) 0.3231(2) 0.0491(8) Uani 1 1 d . . . . .
H007 H 0.6386 0.6173 0.3469 0.059 Uiso 1 1 calc R U . . .
C008 C 0.57144(19) 0.7638(3) 0.0748(2) 0.0456(8) Uani 1 1 d . . . . .
C009 C 0.54215(19) 0.5564(3) 0.2355(2) 0.0448(8) Uani 1 1 d . . . . .
C00A C 0.5157(2) 0.7018(3) 0.1104(2) 0.0475(8) Uani 1 1 d . . . . .
C00B C 0.66121(18) 0.6432(3) 0.19872(19) 0.0429(8) Uani 1 1 d . . . . .
H00B H 0.6939 0.6895 0.2532 0.052 Uiso 1 1 calc R U . . .
C00C C 0.5656(2) 0.4825(3) 0.3750(2) 0.0507(8) Uani 1 1 d . . . . .
H00C H 0.5979 0.4874 0.4336 0.061 Uiso 1 1 calc R U . . .
C00D C 0.7977(2) 0.4441(3) 0.1452(2) 0.0502(8) Uani 1 1 d . . . . .
C00E C 0.79178(19) 0.5050(3) 0.2132(2) 0.0483(8) Uani 1 1 d . . . . .
C00F C 0.7223(2) 0.7876(3) 0.1093(2) 0.0520(9) Uani 1 1 d . . . . .
H00F H 0.7802 0.7672 0.1437 0.062 Uiso 1 1 calc R U . . .
C00G C 0.7102(2) 0.3950(3) 0.0837(2) 0.0547(9) Uani 1 1 d . . . . .
H00G H 0.6925 0.4408 0.0288 0.066 Uiso 1 1 calc R U . . .
C00H C 0.6995(2) 0.5016(4) 0.2007(2) 0.0513(8) Uani 1 1 d . . . . .
H00H H 0.6955 0.4470 0.2461 0.062 Uiso 1 1 calc R U . . .
C00I C 0.4945(2) 0.3970(3) 0.3420(2) 0.0515(9) Uani 1 1 d . . . . .
C00J C 0.4704(2) 0.4713(4) 0.2016(2) 0.0582(9) Uani 1 1 d . . . . .
H00J H 0.4378 0.4671 0.1430 0.070 Uiso 1 1 calc R U . . .
C00K C 0.5327(2) 0.2633(3) 0.4729(2) 0.0543(9) Uani 1 1 d . . . . .
C00L C 0.4471(2) 0.3922(4) 0.2544(2) 0.0590(9) Uani 1 1 d . . . . .
H00L H 0.3989 0.3351 0.2308 0.071 Uiso 1 1 calc R U . . .
C00M C 0.8758(2) 0.4393(4) 0.1393(2) 0.0647(10) Uani 1 1 d . . . . .
H00M H 0.8802 0.3961 0.0938 0.078 Uiso 1 1 calc R U . . .
C00N C 0.8632(2) 0.5662(4) 0.2771(2) 0.0652(10) Uani 1 1 d . . . . .
H00N H 0.8593 0.6076 0.3234 0.078 Uiso 1 1 calc R U . . .
C00O C 0.5487(2) 0.8474(4) 0.0046(2) 0.0642(10) Uani 1 1 d . . . . .
H00O H 0.4908 0.8664 -0.0305 0.077 Uiso 1 1 calc R U . . .
C00P C 0.3803(2) 0.3196(4) 0.3808(2) 0.0581(9) Uani 1 1 d . . . . .
C00Q C 0.6996(2) 0.8721(4) 0.0390(2) 0.0644(10) Uani 1 1 d . . . . .
H00Q H 0.7426 0.9093 0.0260 0.077 Uiso 1 1 calc R U . . .
C00R C 0.5175(3) 0.2568(4) 0.5449(2) 0.0646(10) Uani 1 1 d . . . . .
H00R H 0.4639 0.2831 0.5418 0.078 Uiso 1 1 calc R U . . .
C00S C 0.6118(3) 0.2190(4) 0.4795(2) 0.0661(10) Uani 1 1 d . . . . .
H00S H 0.6222 0.2191 0.4314 0.079 Uiso 1 1 calc R U . . .
C00T C 0.6140(2) 0.9014(4) -0.0117(2) 0.0719(11) Uani 1 1 d . . . . .
H00T H 0.6001 0.9591 -0.0582 0.086 Uiso 1 1 calc R U . . .
C00U C 0.3358(2) 0.4412(4) 0.3669(2) 0.0655(10) Uani 1 1 d . . . . .
H00U H 0.3634 0.5227 0.3654 0.079 Uiso 1 1 calc R U . . .
C00V C 0.9470(2) 0.5004(5) 0.2028(3) 0.0761(12) Uani 1 1 d . . . . .
H00V H 1.0001 0.4987 0.2000 0.091 Uiso 1 1 calc R U . . .
C00W C 0.5817(3) 0.2117(4) 0.6207(3) 0.0778(12) Uani 1 1 d . . . . .
H00W H 0.5711 0.2084 0.6687 0.093 Uiso 1 1 calc R U . . .
C00X C 0.2514(3) 0.4444(5) 0.3553(3) 0.0795(12) Uani 1 1 d . . . . .
H00X H 0.2221 0.5277 0.3455 0.095 Uiso 1 1 calc R U . . .
C00Y C 0.6612(3) 0.1713(4) 0.6265(3) 0.0835(13) Uani 1 1 d . . . . .
H00Y H 0.7046 0.1422 0.6781 0.100 Uiso 1 1 calc R U . . .
C00Z C 0.9407(2) 0.5635(5) 0.2699(3) 0.0786(12) Uani 1 1 d . . . . .
H00Z H 0.9894 0.6055 0.3114 0.094 Uiso 1 1 calc R U . . .
C010 C 0.6755(3) 0.1747(4) 0.5552(3) 0.0789(12) Uani 1 1 d . . . . .
H010 H 0.7288 0.1468 0.5581 0.095 Uiso 1 1 calc R U . . .
C011 C 0.2098(3) 0.3262(7) 0.3579(3) 0.0906(15) Uani 1 1 d . . . . .
H011 H 0.1526 0.3286 0.3507 0.109 Uiso 1 1 calc R U . . .
C012 C 0.3379(3) 0.1991(5) 0.3820(3) 0.0842(13) Uani 1 1 d . . . . .
H012 H 0.3665 0.1153 0.3902 0.101 Uiso 1 1 calc R U . . .
C013 C 0.2532(3) 0.2039(6) 0.3712(3) 0.0992(16) Uani 1 1 d . . . . .
H013 H 0.2251 0.1230 0.3730 0.119 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
O001 C00A 1.229(3) . ?
O002 C00G 1.435(4) . ?
O002 C00H 1.423(4) . ?
N003 C009 1.421(4) . ?
N003 C00A 1.362(4) . ?
N003 C00B 1.473(4) . ?
O004 H004 0.8200 . ?
O004 C00G 1.385(4) . ?
N005 C00I 1.424(4) . ?
N005 C00K 1.414(4) . ?
N005 C00P 1.433(4) . ?
C006 C008 1.378(4) . ?
C006 C00B 1.509(4) . ?
C006 C00F 1.382(4) . ?
C007 H007 0.9300 . ?
C007 C009 1.389(4) . ?
C007 C00C 1.380(4) . ?
C008 C00A 1.473(4) . ?
C008 C00O 1.380(4) . ?
C009 C00J 1.383(4) . ?
C00B H00B 0.9800 . ?
C00B C00H 1.521(4) . ?
C00C H00C 0.9300 . ?
C00C C00I 1.377(4) . ?
C00D C00E 1.369(4) . ?
C00D C00G 1.494(4) . ?
C00D C00M 1.383(4) . ?
C00E C00H 1.495(4) . ?
C00E C00N 1.384(5) . ?
C00F H00F 0.9300 . ?
C00F C00Q 1.387(5) . ?
C00G H00G 0.9800 . ?
C00H H00H 0.9800 . ?
C00I C00L 1.387(5) . ?
C00J H00J 0.9300 . ?
C00J C00L 1.386(5) . ?
C00K C00R 1.389(5) . ?
C00K C00S 1.375(5) . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9300 . ?
C00M C00V 1.377(5) . ?
C00N H00N 0.9300 . ?
C00N C00Z 1.382(5) . ?
C00O H00O 0.9300 . ?
C00O C00T 1.371(5) . ?
C00P C00U 1.371(5) . ?
C00P C012 1.384(5) . ?
C00Q H00Q 0.9300 . ?
C00Q C00T 1.372(5) . ?
C00R H00R 0.9300 . ?
C00R C00W 1.376(5) . ?
C00S H00S 0.9300 . ?
C00S C010 1.369(5) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00X 1.366(5) . ?
C00V H00V 0.9300 . ?
C00V C00Z 1.367(5) . ?
C00W H00W 0.9300 . ?
C00W C00Y 1.375(6) . ?
C00X H00X 0.9300 . ?
C00X C011 1.364(6) . ?
C00Y H00Y 0.9300 . ?
C00Y C010 1.368(6) . ?
C00Z H00Z 0.9300 . ?
C010 H010 0.9300 . ?
C011 H011 0.9300 . ?
C011 C013 1.368(6) . ?
C012 H012 0.9300 . ?
C012 C013 1.377(6) . ?
C013 H013 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C00H O002 C00G 111.7(2) . . ?
C009 N003 C00B 121.7(2) . . ?
C00A N003 C009 125.5(2) . . ?
C00A N003 C00B 112.8(2) . . ?
C00G O004 H004 109.5 . . ?
C00I N005 C00P 117.7(3) . . ?
C00K N005 C00I 120.3(3) . . ?
C00K N005 C00P 119.6(3) . . ?
C008 C006 C00B 109.2(2) . . ?
C008 C006 C00F 120.1(3) . . ?
C00F C006 C00B 130.7(3) . . ?
C009 C007 H007 119.9 . . ?
C00C C007 H007 119.9 . . ?
C00C C007 C009 120.2(3) . . ?
C006 C008 C00A 109.3(3) . . ?
C006 C008 C00O 121.5(3) . . ?
C00O C008 C00A 129.1(3) . . ?
C007 C009 N003 120.1(3) . . ?
C00J C009 N003 121.0(3) . . ?
C00J C009 C007 118.8(3) . . ?
O001 C00A N003 125.5(3) . . ?
O001 C00A C008 127.8(3) . . ?
N003 C00A C008 106.7(3) . . ?
N003 C00B C006 102.0(2) . . ?
N003 C00B H00B 109.6 . . ?
N003 C00B C00H 111.0(2) . . ?
C006 C00B H00B 109.6 . . ?
C006 C00B C00H 114.8(2) . . ?
C00H C00B H00B 109.6 . . ?
C007 C00C H00C 119.3 . . ?
C00I C00C C007 121.5(3) . . ?
C00I C00C H00C 119.3 . . ?
C00E C00D C00G 109.7(3) . . ?
C00E C00D C00M 120.9(3) . . ?
C00M C00D C00G 129.4(3) . . ?
C00D C00E C00H 109.3(3) . . ?
C00D C00E C00N 121.1(3) . . ?
C00N C00E C00H 129.5(3) . . ?
C006 C00F H00F 120.8 . . ?
C006 C00F C00Q 118.4(3) . . ?
C00Q C00F H00F 120.8 . . ?
O002 C00G C00D 104.4(3) . . ?
O002 C00G H00G 110.3 . . ?
O004 C00G O002 109.0(3) . . ?
O004 C00G C00D 112.4(3) . . ?
O004 C00G H00G 110.3 . . ?
C00D C00G H00G 110.3 . . ?
O002 C00H C00B 110.4(3) . . ?
O002 C00H C00E 104.9(2) . . ?
O002 C00H H00H 109.3 . . ?
C00B C00H H00H 109.3 . . ?
C00E C00H C00B 113.5(3) . . ?
C00E C00H H00H 109.3 . . ?
C00C C00I N005 121.8(3) . . ?
C00C C00I C00L 118.2(3) . . ?
C00L C00I N005 120.1(3) . . ?
C009 C00J H00J 119.8 . . ?
C009 C00J C00L 120.3(3) . . ?
C00L C00J H00J 119.8 . . ?
C00R C00K N005 121.4(3) . . ?
C00S C00K N005 120.6(3) . . ?
C00S C00K C00R 118.0(4) . . ?
C00I C00L H00L 119.5 . . ?
C00J C00L C00I 121.0(3) . . ?
C00J C00L H00L 119.5 . . ?
C00D C00M H00M 121.0 . . ?
C00V C00M C00D 118.1(3) . . ?
C00V C00M H00M 121.0 . . ?
C00E C00N H00N 121.2 . . ?
C00Z C00N C00E 117.7(4) . . ?
C00Z C00N H00N 121.2 . . ?
C008 C00O H00O 121.1 . . ?
C00T C00O C008 117.9(3) . . ?
C00T C00O H00O 121.1 . . ?
C00U C00P N005 121.6(3) . . ?
C00U C00P C012 118.8(3) . . ?
C012 C00P N005 119.6(4) . . ?
C00F C00Q H00Q 119.7 . . ?
C00T C00Q C00F 120.5(3) . . ?
C00T C00Q H00Q 119.7 . . ?
C00K C00R H00R 119.9 . . ?
C00W C00R C00K 120.1(4) . . ?
C00W C00R H00R 119.9 . . ?
C00K C00S H00S 119.2 . . ?
C010 C00S C00K 121.6(4) . . ?
C010 C00S H00S 119.2 . . ?
C00O C00T C00Q 121.5(3) . . ?
C00O C00T H00T 119.3 . . ?
C00Q C00T H00T 119.3 . . ?
C00P C00U H00U 119.5 . . ?
C00X C00U C00P 121.0(4) . . ?
C00X C00U H00U 119.5 . . ?
C00M C00V H00V 119.5 . . ?
C00Z C00V C00M 121.0(3) . . ?
C00Z C00V H00V 119.5 . . ?
C00R C00W H00W 119.5 . . ?
C00Y C00W C00R 120.9(4) . . ?
C00Y C00W H00W 119.5 . . ?
C00U C00X H00X 119.8 . . ?
C011 C00X C00U 120.5(4) . . ?
C011 C00X H00X 119.8 . . ?
C00W C00Y H00Y 120.5 . . ?
C010 C00Y C00W 119.0(4) . . ?
C010 C00Y H00Y 120.5 . . ?
C00N C00Z H00Z 119.4 . . ?
C00V C00Z C00N 121.3(4) . . ?
C00V C00Z H00Z 119.4 . . ?
C00S C010 H010 119.8 . . ?
C00Y C010 C00S 120.3(4) . . ?
C00Y C010 H010 119.8 . . ?
C00X C011 H011 120.4 . . ?
C00X C011 C013 119.2(4) . . ?
C013 C011 H011 120.4 . . ?
C00P C012 H012 120.2 . . ?
C013 C012 C00P 119.6(4) . . ?
C013 C012 H012 120.2 . . ?
C011 C013 C012 120.9(4) . . ?
C011 C013 H013 119.6 . . ?
C012 C013 H013 119.6 . . ?

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
N003 C009 C00J C00L 177.2(3) . . . . ?
N003 C00B C00H O002 59.7(3) . . . . ?
N003 C00B C00H C00E 177.2(2) . . . . ?
N005 C00I C00L C00J 179.9(3) . . . . ?
N005 C00K C00R C00W -177.1(3) . . . . ?
N005 C00K C00S C010 176.8(3) . . . . ?
N005 C00P C00U C00X -178.5(3) . . . . ?
N005 C00P C012 C013 177.8(4) . . . . ?
C006 C008 C00A O001 175.7(3) . . . . ?
C006 C008 C00A N003 -1.6(4) . . . . ?
C006 C008 C00O C00T -0.3(5) . . . . ?
C006 C00B C00H O002 -55.3(3) . . . . ?
C006 C00B C00H C00E 62.2(3) . . . . ?
C006 C00F C00Q C00T -0.3(5) . . . . ?
C007 C009 C00J C00L 0.0(5) . . . . ?
C007 C00C C00I N005 179.6(3) . . . . ?
C007 C00C C00I C00L -0.5(5) . . . . ?
C008 C006 C00B N003 -3.1(3) . . . . ?
C008 C006 C00B C00H 117.0(3) . . . . ?
C008 C006 C00F C00Q 1.0(5) . . . . ?
C008 C00O C00T C00Q 1.0(6) . . . . ?
C009 N003 C00A O001 3.9(5) . . . . ?
C009 N003 C00A C008 -178.8(3) . . . . ?
C009 N003 C00B C006 -179.5(3) . . . . ?
C009 N003 C00B C00H 57.8(4) . . . . ?
C009 C007 C00C C00I 0.7(5) . . . . ?
C009 C00J C00L C00I 0.2(5) . . . . ?
C00A N003 C009 C007 -140.8(3) . . . . ?
C00A N003 C009 C00J 42.0(5) . . . . ?
C00A N003 C00B C006 2.2(3) . . . . ?
C00A N003 C00B C00H -120.5(3) . . . . ?
C00A C008 C00O C00T 174.9(3) . . . . ?
C00B N003 C009 C007 41.1(4) . . . . ?
C00B N003 C009 C00J -136.1(3) . . . . ?
C00B N003 C00A O001 -177.9(3) . . . . ?
C00B N003 C00A C008 -0.5(3) . . . . ?
C00B C006 C008 C00A 3.0(3) . . . . ?
C00B C006 C008 C00O 179.1(3) . . . . ?
C00B C006 C00F C00Q -178.7(3) . . . . ?
C00C C007 C009 N003 -177.7(3) . . . . ?
C00C C007 C009 C00J -0.4(5) . . . . ?
C00C C00I C00L C00J 0.0(5) . . . . ?
C00D C00E C00H O002 0.5(4) . . . . ?
C00D C00E C00H C00B -120.0(3) . . . . ?
C00D C00E C00N C00Z 0.0(5) . . . . ?
C00D C00M C00V C00Z 0.2(6) . . . . ?
C00E C00D C00G O002 0.5(4) . . . . ?
C00E C00D C00G O004 -117.5(3) . . . . ?
C00E C00D C00M C00V -1.5(5) . . . . ?
C00E C00N C00Z C00V -1.3(6) . . . . ?
C00F C006 C008 C00A -176.7(3) . . . . ?
C00F C006 C008 C00O -0.7(5) . . . . ?
C00F C006 C00B N003 176.6(3) . . . . ?
C00F C006 C00B C00H -63.3(4) . . . . ?
C00F C00Q C00T C00O -0.8(6) . . . . ?
C00G O002 C00H C00B 122.5(3) . . . . ?
C00G O002 C00H C00E -0.2(3) . . . . ?
C00G C00D C00E C00H -0.7(4) . . . . ?
C00G C00D C00E C00N -176.3(3) . . . . ?
C00G C00D C00M C00V 175.8(3) . . . . ?
C00H O002 C00G O004 120.1(3) . . . . ?
C00H O002 C00G C00D -0.2(3) . . . . ?
C00H C00E C00N C00Z -174.7(3) . . . . ?
C00I N005 C00K C00R 141.7(3) . . . . ?
C00I N005 C00K C00S -37.7(5) . . . . ?
C00I N005 C00P C00U -43.9(5) . . . . ?
C00I N005 C00P C012 137.1(4) . . . . ?
C00K N005 C00I C00C -32.0(5) . . . . ?
C00K N005 C00I C00L 148.1(3) . . . . ?
C00K N005 C00P C00U 118.6(4) . . . . ?
C00K N005 C00P C012 -60.5(5) . . . . ?
C00K C00R C00W C00Y -0.5(6) . . . . ?
C00K C00S C010 C00Y 1.1(6) . . . . ?
C00M C00D C00E C00H 177.1(3) . . . . ?
C00M C00D C00E C00N 1.4(5) . . . . ?
C00M C00D C00G O002 -177.0(3) . . . . ?
C00M C00D C00G O004 65.0(5) . . . . ?
C00M C00V C00Z C00N 1.2(6) . . . . ?
C00N C00E C00H O002 175.8(3) . . . . ?
C00N C00E C00H C00B 55.2(5) . . . . ?
C00O C008 C00A O001 0.0(6) . . . . ?
C00O C008 C00A N003 -177.3(3) . . . . ?
C00P N005 C00I C00C 130.4(3) . . . . ?
C00P N005 C00I C00L -49.6(4) . . . . ?
C00P N005 C00K C00R -20.4(5) . . . . ?
C00P N005 C00K C00S 160.3(3) . . . . ?
C00P C00U C00X C011 0.6(6) . . . . ?
C00P C012 C013 C011 1.0(7) . . . . ?
C00R C00K C00S C010 -2.5(5) . . . . ?
C00R C00W C00Y C010 -0.9(6) . . . . ?
C00S C00K C00R C00W 2.2(5) . . . . ?
C00U C00P C012 C013 -1.3(6) . . . . ?
C00U C00X C011 C013 -0.9(7) . . . . ?
C00W C00Y C010 C00S 0.7(6) . . . . ?
C00X C011 C013 C012 0.1(7) . . . . ?
C012 C00P C00U C00X 0.5(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
