# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 
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data_npb_16_a
_database_code_depnum_ccdc_archive 'CCDC 2224433'
loop_
_audit_author_name
_audit_author_address
'Niu Pengbo'
;Nanjing University
China
;
_audit_update_record             
;
2022-12-05 deposited with the CCDC.	2023-08-11 downloaded from the CCDC.
;
_audit_creation_date             2022-08-31
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H34 N2 O4'
_chemical_formula_sum            'C33 H34 N2 O4'
_chemical_formula_weight         522.62
_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 0.0148 0.0070 '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 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.8793(8)
_cell_length_b                   5.2883(2)
_cell_length_c                   25.9027(10)
_cell_angle_alpha                90
_cell_angle_beta                 108.6850(10)
_cell_angle_gamma                90
_cell_volume                     2709.33(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6549
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      53.98
_cell_measurement_theta_min      3.70
_shelx_estimated_absorpt_T_max   0.922
_shelx_estimated_absorpt_T_min   0.911
_exptl_absorpt_coefficient_mu    0.432
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.6637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1343 before and 0.0667 after correction.
The Ratio of minimum to maximum transmission is 0.8842.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            14157
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.982
_diffrn_reflns_theta_min         3.134
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2142
_reflns_number_total             2470
_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  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         2470
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.051
_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+3.7027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1504
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H00E)=Sof(H00F)=Sof(C2)=Sof(C1)=Sof(H1)=Sof(C4)=Sof(H4)=Sof(C10)=Sof(C3)=
 Sof(C6)=Sof(H6)=Sof(C5)=Sof(H5A)=Sof(H5B)=1-FVAR(1)
 Sof(H00C)=Sof(H00D)=Sof(C00A)=Sof(C00D)=Sof(C00E)=Sof(C00G)=Sof(H00L)=
 Sof(H00M)=Sof(C00H)=Sof(H00N)=Sof(C00I)=Sof(H00O)=Sof(C00K)=Sof(H00S)=FVAR(1)
 Fixed Sof: H00A(0.5) H00B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C004(H00A,H00B), C005(H00C,H00D), C005(H00E,H00F), C00G(H00L,H00M), C5(H5A,H5B)
3.b Aromatic/amide H refined with riding coordinates:
 C007(H007), C00C(H00J), C00F(H00K), C00H(H00N), C00I(H00O), C00K(H00S),
 C1(H1), C4(H4), C6(H6)
3.c Fitted hexagon refined as free rotating group:
 C2(C1,C4,C10,C3,C6)
3.d Idealised Me refined as rotating group:
 C009(H00G,H00H,H00I), C00J(H00P,H00Q,H00R)
;
_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 0.42188(7) 0.7609(3) 0.47413(5) 0.0494(4) Uani 1 1 d . . . . .
O002 O 0.21406(9) 0.0990(4) 0.37572(10) 0.0919(7) Uani 1 1 d . . . . .
N1 N 0.55918(10) 1.1510(3) 0.27092(10) 0.0670(6) Uani 1 1 d . . . . .
C004 C 0.5000 1.3042(5) 0.2500 0.0415(6) Uani 1 2 d S T P A .
H00A H 0.5050 1.4142 0.2206 0.050 Uiso 0.5 1 calc R U P . .
H00B H 0.4950 1.4142 0.2794 0.050 Uiso 0.5 1 calc R U P . .
C005 C 0.44487(11) 0.4195(4) 0.40203(8) 0.0435(5) Uani 1 1 d . . . . .
H00C H 0.4525 0.2499 0.3889 0.052 Uiso 0.655(3) 1 calc R U P A 1
H00D H 0.4828 0.4587 0.4354 0.052 Uiso 0.655(3) 1 calc R U P A 1
H00E H 0.4431 0.2602 0.3815 0.052 Uiso 0.345(3) 1 calc R U P A 2
H00F H 0.4793 0.3911 0.4380 0.052 Uiso 0.345(3) 1 calc R U P A 2
C006 C 0.37923(10) 0.4249(3) 0.41388(7) 0.0386(4) Uani 1 1 d . . . . .
C007 C 0.32786(11) 0.2564(4) 0.38850(9) 0.0485(5) Uani 1 1 d . . . . .
H007 H 0.3341 0.1393 0.3627 0.058 Uiso 1 1 calc R U . . .
C008 C 0.36928(10) 0.5974(4) 0.45118(8) 0.0434(5) Uani 1 1 d . . . . .
C009 C 0.41418(13) 0.9382(4) 0.51314(9) 0.0558(6) Uani 1 1 d . . . . .
H00G H 0.3753 1.0478 0.4960 0.084 Uiso 1 1 calc R U . . .
H00H H 0.4552 1.0414 0.5265 0.084 Uiso 1 1 calc R U . . .
H00I H 0.4068 0.8473 0.5437 0.084 Uiso 1 1 calc R U . . .
C00A C 0.5005(2) 0.9208(7) 0.31800(16) 0.0305(9) Uani 0.655(3) 1 d . . P A 1
C00B C 0.26746(12) 0.2560(5) 0.40013(11) 0.0624(6) Uani 1 1 d . . . . .
C00C C 0.30973(12) 0.5936(5) 0.46391(10) 0.0626(7) Uani 1 1 d . . . . .
H00J H 0.3036 0.7076 0.4903 0.075 Uiso 1 1 calc R U . . .
C00D C 0.44016(17) 0.6233(6) 0.35708(14) 0.0333(7) Uani 0.655(3) 1 d . . P A 1
C00E C 0.44137(19) 0.9732(6) 0.27624(14) 0.0304(8) Uani 0.655(3) 1 d . . P A 1
C00F C 0.25923(13) 0.4236(5) 0.43817(12) 0.0740(8) Uani 1 1 d . . . . .
H00K H 0.2183 0.4226 0.4468 0.089 Uiso 1 1 calc R U . . .
C00G C 0.56617(18) 1.0406(6) 0.31756(12) 0.0380(7) Uani 0.655(3) 1 d . . P A 1
H00L H 0.5809 1.1667 0.3473 0.046 Uiso 0.655(3) 1 calc R U P A 1
H00M H 0.6016 0.9089 0.3243 0.046 Uiso 0.655(3) 1 calc R U P A 1
C00H C 0.49867(14) 0.7478(5) 0.35788(10) 0.0323(7) Uani 0.655(3) 1 d . . P A 1
H00N H 0.5392 0.7139 0.3868 0.039 Uiso 0.655(3) 1 calc R U P A 1
C00I C 0.38122(15) 0.6752(5) 0.31378(11) 0.0367(7) Uani 0.655(3) 1 d . . P A 1
H00O H 0.3404 0.5897 0.3116 0.044 Uiso 0.655(3) 1 calc R U P A 1
C00J C 0.22129(14) -0.0714(5) 0.33571(14) 0.0877(10) Uani 1 1 d . . . . .
H00P H 0.2371 0.0208 0.3092 0.132 Uiso 1 1 calc R U . . .
H00Q H 0.1776 -0.1504 0.3169 0.132 Uiso 1 1 calc R U . . .
H00R H 0.2543 -0.2024 0.3533 0.132 Uiso 1 1 calc R U . . .
C00K C 0.38195(14) 0.8501(5) 0.27416(11) 0.0372(7) Uani 0.655(3) 1 d . . P A 1
H00S H 0.3415 0.8859 0.2454 0.045 Uiso 0.655(3) 1 calc R U P A 1
C2 C 0.47749(19) 0.6063(6) 0.37420(15) 0.0348(14) Uani 0.345(3) 1 d G . P A 2
C1 C 0.54643(18) 0.6549(7) 0.38893(12) 0.0357(13) Uani 0.345(3) 1 d G . P A 2
H1 H 0.5769 0.5709 0.4194 0.043 Uiso 0.345(3) 1 calc R U P A 2
C4 C 0.57083(15) 0.8265(7) 0.35909(15) 0.0360(13) Uani 0.345(3) 1 d G . P A 2
H4 H 0.6180 0.8597 0.3692 0.043 Uiso 0.345(3) 1 calc R U P A 2
C10 C 0.5263(2) 0.9494(7) 0.31452(15) 0.0238(18) Uani 0.345(3) 1 d G . P A 2
C3 C 0.4573(2) 0.9007(7) 0.29980(14) 0.0299(14) Uani 0.345(3) 1 d G . P A 2
C6 C 0.43294(14) 0.7292(8) 0.32964(16) 0.0348(14) Uani 0.345(3) 1 d G . P A 2
H6 H 0.3858 0.6959 0.3196 0.042 Uiso 0.345(3) 1 calc R U P A 2
C5 C 0.4105(4) 1.0143(11) 0.2485(3) 0.0381(14) Uani 0.345(3) 1 d . . P A 2
H5A H 0.3892 0.8784 0.2224 0.046 Uiso 0.345(3) 1 calc R U P A 2
H5B H 0.3741 1.1093 0.2569 0.046 Uiso 0.345(3) 1 calc R U P A 2


_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 C008 1.374(2) . ?
O001 C009 1.425(2) . ?
O002 C00B 1.371(3) . ?
O002 C00J 1.417(3) . ?
N1 C004 1.431(2) . ?
N1 C00E 1.539(4) 2_655 ?
N1 C00G 1.307(4) . ?
N1 C10 1.839(4) . ?
N1 C5 1.176(6) 2_655 ?
C004 N1 1.431(2) 2_655 ?
C004 H00A 0.9900 . ?
C004 H00B 0.9900 . ?
C005 H00C 0.9900 . ?
C005 H00D 0.9900 . ?
C005 H00E 0.9900 . ?
C005 H00F 0.9900 . ?
C005 C006 1.498(3) . ?
C005 C00D 1.566(4) . ?
C005 C2 1.508(3) . ?
C006 C007 1.388(3) . ?
C006 C008 1.392(3) . ?
C007 H007 0.9500 . ?
C007 C00B 1.387(3) . ?
C008 C00C 1.385(3) . ?
C009 H00G 0.9800 . ?
C009 H00H 0.9800 . ?
C009 H00I 0.9800 . ?
C00A C00E 1.383(6) . ?
C00A C00G 1.515(4) . ?
C00A C00H 1.389(5) . ?
C00B C00F 1.376(4) . ?
C00C H00J 0.9500 . ?
C00C C00F 1.384(3) . ?
C00D C00H 1.382(4) . ?
C00D C00I 1.401(4) . ?
C00E N1 1.539(4) 2_655 ?
C00E C00K 1.387(4) . ?
C00F H00K 0.9500 . ?
C00G H00L 0.9900 . ?
C00G H00M 0.9900 . ?
C00H H00N 0.9500 . ?
C00I H00O 0.9500 . ?
C00I C00K 1.385(4) . ?
C00J H00P 0.9800 . ?
C00J H00Q 0.9800 . ?
C00J H00R 0.9800 . ?
C00K H00S 0.9500 . ?
C2 C1 1.3900 . ?
C2 C6 1.3900 . ?
C1 H1 0.9500 . ?
C1 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C10 1.3900 . ?
C10 C3 1.3900 . ?
C3 C6 1.3900 . ?
C3 C5 1.500(8) . ?
C6 H6 0.9500 . ?
C5 N1 1.176(6) 2_655 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?

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
C008 O001 C009 117.69(16) . . ?
C00B O002 C00J 117.4(2) . . ?
C004 N1 C00E 105.04(19) . 2_655 ?
C004 N1 C10 96.53(19) . . ?
C00G N1 C004 115.5(2) . . ?
C00G N1 C00E 115.5(2) . 2_655 ?
C5 N1 C004 134.8(4) 2_655 . ?
C5 N1 C10 105.4(3) 2_655 . ?
N1 C004 N1 111.0(2) . 2_655 ?
N1 C004 H00A 109.4 . . ?
N1 C004 H00A 109.4 2_655 . ?
N1 C004 H00B 109.4 . . ?
N1 C004 H00B 109.4 2_655 . ?
H00A C004 H00B 108.0 . . ?
H00C C005 H00D 108.5 . . ?
H00E C005 H00F 105.6 . . ?
C006 C005 H00C 110.3 . . ?
C006 C005 H00D 110.3 . . ?
C006 C005 H00E 104.3 . . ?
C006 C005 H00F 104.3 . . ?
C006 C005 C00D 107.19(18) . . ?
C006 C005 C2 132.0(2) . . ?
C00D C005 H00C 110.3 . . ?
C00D C005 H00D 110.3 . . ?
C2 C005 H00E 104.3 . . ?
C2 C005 H00F 104.3 . . ?
C007 C006 C005 120.65(17) . . ?
C007 C006 C008 119.03(18) . . ?
C008 C006 C005 120.32(18) . . ?
C006 C007 H007 119.4 . . ?
C00B C007 C006 121.1(2) . . ?
C00B C007 H007 119.4 . . ?
O001 C008 C006 115.86(17) . . ?
O001 C008 C00C 124.06(18) . . ?
C00C C008 C006 120.1(2) . . ?
O001 C009 H00G 109.5 . . ?
O001 C009 H00H 109.5 . . ?
O001 C009 H00I 109.5 . . ?
H00G C009 H00H 109.5 . . ?
H00G C009 H00I 109.5 . . ?
H00H C009 H00I 109.5 . . ?
C00E C00A C00G 119.6(3) . . ?
C00E C00A C00H 118.9(3) . . ?
C00H C00A C00G 121.4(3) . . ?
O002 C00B C007 124.2(2) . . ?
O002 C00B C00F 116.8(2) . . ?
C00F C00B C007 119.0(2) . . ?
C008 C00C H00J 120.1 . . ?
C00F C00C C008 119.9(2) . . ?
C00F C00C H00J 120.1 . . ?
C00H C00D C005 118.2(3) . . ?
C00H C00D C00I 117.6(3) . . ?
C00I C00D C005 124.0(3) . . ?
C00A C00E N1 121.4(3) . 2_655 ?
C00A C00E C00K 119.9(3) . . ?
C00K C00E N1 118.5(3) . 2_655 ?
C00B C00F C00C 120.9(2) . . ?
C00B C00F H00K 119.6 . . ?
C00C C00F H00K 119.6 . . ?
N1 C00G C00A 111.1(3) . . ?
N1 C00G H00L 109.4 . . ?
N1 C00G H00M 109.4 . . ?
C00A C00G H00L 109.4 . . ?
C00A C00G H00M 109.4 . . ?
H00L C00G H00M 108.0 . . ?
C00A C00H H00N 118.8 . . ?
C00D C00H C00A 122.5(3) . . ?
C00D C00H H00N 118.8 . . ?
C00D C00I H00O 119.7 . . ?
C00K C00I C00D 120.6(3) . . ?
C00K C00I H00O 119.7 . . ?
O002 C00J H00P 109.5 . . ?
O002 C00J H00Q 109.5 . . ?
O002 C00J H00R 109.5 . . ?
H00P C00J H00Q 109.5 . . ?
H00P C00J H00R 109.5 . . ?
H00Q C00J H00R 109.5 . . ?
C00E C00K H00S 119.8 . . ?
C00I C00K C00E 120.4(3) . . ?
C00I C00K H00S 119.8 . . ?
C1 C2 C005 125.2(3) . . ?
C1 C2 C6 120.0 . . ?
C6 C2 C005 114.8(3) . . ?
C2 C1 H1 120.0 . . ?
C4 C1 C2 120.0 . . ?
C4 C1 H1 120.0 . . ?
C1 C4 H4 120.0 . . ?
C1 C4 C10 120.0 . . ?
C10 C4 H4 120.0 . . ?
C4 C10 N1 119.9(2) . . ?
C4 C10 C3 120.0 . . ?
C3 C10 N1 119.8(2) . . ?
C10 C3 C6 120.0 . . ?
C10 C3 C5 119.6(4) . . ?
C6 C3 C5 120.1(4) . . ?
C2 C6 H6 120.0 . . ?
C3 C6 C2 120.0 . . ?
C3 C6 H6 120.0 . . ?
N1 C5 C3 109.7(6) 2_655 . ?
N1 C5 H5A 109.7 2_655 . ?
N1 C5 H5B 109.7 2_655 . ?
C3 C5 H5A 109.7 . . ?
C3 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?

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
O001 C008 C00C C00F 179.3(2) . . . . ?
O002 C00B C00F C00C -178.4(3) . . . . ?
N1 C00E C00K C00I 175.6(2) 2_655 . . . ?
N1 C10 C3 C6 173.7(3) . . . . ?
N1 C10 C3 C5 -0.2(4) . . . . ?
C004 N1 C00G C00A 45.5(3) . . . . ?
C004 N1 C10 C4 -156.5(2) . . . . ?
C004 N1 C10 C3 29.8(2) . . . . ?
C005 C006 C007 C00B 178.5(2) . . . . ?
C005 C006 C008 O001 1.8(3) . . . . ?
C005 C006 C008 C00C -176.9(2) . . . . ?
C005 C00D C00H C00A 176.2(3) . . . . ?
C005 C00D C00I C00K -176.9(2) . . . . ?
C005 C2 C1 C4 178.1(3) . . . . ?
C005 C2 C6 C3 -178.3(3) . . . . ?
C006 C005 C00D C00H 147.6(2) . . . . ?
C006 C005 C00D C00I -37.1(3) . . . . ?
C006 C005 C2 C1 143.7(2) . . . . ?
C006 C005 C2 C6 -38.1(3) . . . . ?
C006 C007 C00B O002 178.4(2) . . . . ?
C006 C007 C00B C00F -1.0(4) . . . . ?
C006 C008 C00C C00F -2.1(4) . . . . ?
C007 C006 C008 O001 -179.07(17) . . . . ?
C007 C006 C008 C00C 2.2(3) . . . . ?
C007 C00B C00F C00C 1.1(4) . . . . ?
C008 C006 C007 C00B -0.6(3) . . . . ?
C008 C00C C00F C00B 0.4(4) . . . . ?
C009 O001 C008 C006 -179.09(17) . . . . ?
C009 O001 C008 C00C -0.4(3) . . . . ?
C00A C00E C00K C00I 0.2(4) . . . . ?
C00D C005 C006 C007 95.9(2) . . . . ?
C00D C005 C006 C008 -85.0(2) . . . . ?
C00D C00I C00K C00E 1.2(4) . . . . ?
C00E N1 C004 N1 54.33(14) 2_655 . . 2_655 ?
C00E N1 C00G C00A -77.6(3) 2_655 . . . ?
C00E C00A C00G N1 -10.5(4) . . . . ?
C00E C00A C00H C00D 0.8(5) . . . . ?
C00G N1 C004 N1 -74.2(2) . . . 2_655 ?
C00G C00A C00E N1 0.1(5) . . . 2_655 ?
C00G C00A C00E C00K 175.2(3) . . . . ?
C00G C00A C00H C00D -175.5(3) . . . . ?
C00H C00A C00E N1 -176.4(3) . . . 2_655 ?
C00H C00A C00E C00K -1.2(5) . . . . ?
C00H C00A C00G N1 165.8(3) . . . . ?
C00H C00D C00I C00K -1.5(4) . . . . ?
C00I C00D C00H C00A 0.5(4) . . . . ?
C00J O002 C00B C007 -0.6(4) . . . . ?
C00J O002 C00B C00F 178.8(2) . . . . ?
C2 C005 C006 C007 113.2(3) . . . . ?
C2 C005 C006 C008 -67.6(3) . . . . ?
C2 C1 C4 C10 0.0 . . . . ?
C1 C2 C6 C3 0.0 . . . . ?
C1 C4 C10 N1 -173.7(3) . . . . ?
C1 C4 C10 C3 0.0 . . . . ?
C4 C10 C3 C6 0.0 . . . . ?
C4 C10 C3 C5 -174.0(4) . . . . ?
C10 N1 C004 N1 -50.99(15) . . . 2_655 ?
C10 C3 C6 C2 0.0 . . . . ?
C10 C3 C5 N1 -5.1(6) . . . 2_655 ?
C6 C2 C1 C4 0.0 . . . . ?
C6 C3 C5 N1 -179.1(3) . . . 2_655 ?
C5 N1 C004 N1 68.3(5) 2_655 . . 2_655 ?
C5 N1 C10 C4 63.5(5) 2_655 . . . ?
C5 N1 C10 C3 -110.3(5) 2_655 . . . ?
C5 C3 C6 C2 173.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
