# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 2452140'
loop_
_audit_author_name
_audit_author_address
'zhong longjin'
;Hunan University
China
;
_audit_update_record             
;
2025-05-19 deposited with the CCDC.	2026-03-01 downloaded from the CCDC.
;
_audit_creation_date             2025-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H26 N2 O'
_chemical_formula_sum            'C27 H26 N O2'
_chemical_formula_weight         396.49
_chemical_absolute_configuration ?
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.3509(3)
_cell_length_b                   8.0842(3)
_cell_length_c                   16.1093(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.133(2)
_cell_angle_gamma                90
_cell_volume                     1079.13(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7276
_cell_measurement_temperature    297.00
_cell_measurement_theta_max      68.499
_cell_measurement_theta_min      5.338
_shelx_estimated_absorpt_T_max   0.943
_shelx_estimated_absorpt_T_min   0.932
_exptl_absorpt_coefficient_mu    0.598
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6062
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0888 before and 0.0466 after correction.
The Ratio of minimum to maximum transmission is 0.8049.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             422
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9269
_diffrn_reflns_point_group_measured_fraction_full 0.819
_diffrn_reflns_point_group_measured_fraction_max 0.812
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.494
_diffrn_reflns_theta_min         5.338
_diffrn_ambient_temperature      297.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.564
_reflns_Friedel_fraction_full    0.644
_reflns_Friedel_fraction_max     0.635
_reflns_number_gt                3076
_reflns_number_total             3214
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.255
_refine_diff_density_min         -0.159
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 
;
 Flack x determined using 1040 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.17(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3214
_refine_ls_number_restraints     87
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0767P)²+0.1507P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1193
_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
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3.a Ternary CH refined with riding coordinates:
 C00S(H00T)
3.b Secondary CH2 refined with riding coordinates:
 C00G(H00A,H00B)
3.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00F(H00F), C00H(H00H), C00I(H00I), C00J(H00J), C00K(H00K),
 C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00Q(H00Q)
3.d Idealised Me refined as rotating group:
 C00P(H00C,H00E,H00G), C00R(H00P,H00R,H00S), C00T(H00U,H00V,H00W), C00U(H00X,
 H00Y,H)
;
_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
N001 N 0.4632(2) 0.6266(3) 0.73219(11) 0.0367(4) Uani 1 1 d . U . . .
O002 O 0.7331(2) 0.4395(3) 0.99151(11) 0.0614(6) Uani 1 1 d . U . . .
N003 N 0.8644(2) 0.6093(3) 0.91233(13) 0.0512(6) Uani 1 1 d . U . . .
C004 C 0.5913(3) 0.6249(3) 0.78673(13) 0.0330(5) Uani 1 1 d . U . . .
C005 C 0.4699(3) 0.7082(3) 0.65707(13) 0.0345(5) Uani 1 1 d . U . . .
C006 C 0.7408(3) 0.7014(3) 0.77446(14) 0.0363(5) Uani 1 1 d . U . . .
C007 C 0.8748(3) 0.6969(3) 0.83766(15) 0.0423(5) Uani 1 1 d . U . . .
C008 C 0.1703(3) 0.7923(3) 0.46378(14) 0.0402(5) Uani 1 1 d . U . . .
C009 C 0.7303(3) 0.5229(3) 0.92848(14) 0.0435(6) Uani 1 1 d . U . . .
C00A C 0.3216(3) 0.7876(3) 0.52289(14) 0.0383(5) Uani 1 1 d . U . . .
C00B C 0.7522(3) 0.7851(3) 0.69858(14) 0.0405(5) Uani 1 1 d . U . . .
C00C C 0.5732(3) 0.5424(3) 0.86953(13) 0.0363(5) Uani 1 1 d . U . . .
C00D C 0.3287(3) 0.7110(3) 0.60009(13) 0.0371(5) Uani 1 1 d . U . . .
H00D H 0.236597 0.659543 0.614668 0.045 Uiso 1 1 calc R U . . .
C00E C 0.6109(3) 0.7867(3) 0.63735(14) 0.0386(5) Uani 1 1 d . U . . .
C00F C 0.6032(3) 0.8641(4) 0.55852(16) 0.0556(7) Uani 1 1 d . U . . .
H00F H 0.694255 0.916995 0.543560 0.067 Uiso 1 1 calc R U . . .
C00G C 0.4858(3) 0.3750(4) 0.85745(15) 0.0468(6) Uani 1 1 d . U . . .
H00A H 0.485000 0.325444 0.912247 0.056 Uiso 1 1 calc R U . . .
H00B H 0.374389 0.396755 0.835360 0.056 Uiso 1 1 calc R U . . .
C00H C 0.8990(3) 0.8626(4) 0.68667(17) 0.0547(7) Uani 1 1 d . U . . .
H00H H 0.909752 0.916240 0.636580 0.066 Uiso 1 1 calc R U . . .
C00I C 0.0363(3) 0.6979(4) 0.47651(16) 0.0564(7) Uani 1 1 d . U . . .
H00I H 0.042510 0.626477 0.522048 0.068 Uiso 1 1 calc R U . . .
C00J C 0.1541(3) 0.8940(4) 0.39381(16) 0.0585(7) Uani 1 1 d . U . . .
H00J H 0.241485 0.957867 0.382473 0.070 Uiso 1 1 calc R U . . .
C00K C -0.1057(3) 0.7081(5) 0.42304(18) 0.0620(8) Uani 1 1 d . U . . .
H00K H -0.193453 0.643701 0.433149 0.074 Uiso 1 1 calc R U . . .
C00L C 0.4644(3) 0.8628(4) 0.50363(17) 0.0558(7) Uani 1 1 d . U . . .
H00L H 0.464467 0.913392 0.451779 0.067 Uiso 1 1 calc R U . . .
C00M C 1.0151(3) 0.7783(4) 0.82438(18) 0.0548(7) Uani 1 1 d . U . . .
H00M H 1.102861 0.779313 0.865991 0.066 Uiso 1 1 calc R U . . .
C00N C -0.1193(3) 0.8114(4) 0.35545(17) 0.0595(8) Uani 1 1 d . U . . .
H00N H -0.215851 0.819398 0.320117 0.071 Uiso 1 1 calc R U . . .
C00O C 1.0249(3) 0.8583(4) 0.74913(19) 0.0597(7) Uani 1 1 d . U . . .
H00O H 1.120708 0.910959 0.740981 0.072 Uiso 1 1 calc R U . . .
C00P C 0.4714(4) 0.6589(4) 0.91748(15) 0.0605(8) Uani 1 1 d . U . . .
H00C H 0.527940 0.761409 0.928748 0.091 Uiso 1 1 calc R U . . .
H00E H 0.452904 0.608094 0.969315 0.091 Uiso 1 1 calc R U . . .
H00G H 0.369773 0.679809 0.884299 0.091 Uiso 1 1 calc R U . . .
C00Q C 0.0119(4) 0.9026(5) 0.34085(18) 0.0699(9) Uani 1 1 d . U . . .
H00Q H 0.004928 0.971689 0.294375 0.084 Uiso 1 1 calc R U . . .
C00R C 1.0076(4) 0.5976(6) 0.9753(2) 0.0821(12) Uani 1 1 d . U . . .
H00P H 1.085395 0.525161 0.955216 0.123 Uiso 1 1 calc R U . . .
H00R H 0.976736 0.554616 1.026502 0.123 Uiso 1 1 calc R U . . .
H00S H 1.054113 0.705531 0.985111 0.123 Uiso 1 1 calc R U . . .
C00S C 0.5510(5) 0.2476(4) 0.8015(2) 0.0752(10) Uani 1 1 d . U . . .
H00T H 0.538164 0.292960 0.744643 0.090 Uiso 1 1 calc R U . . .
C00T C 0.4434(6) 0.0922(6) 0.8002(3) 0.1119(17) Uani 1 1 d . U . . .
H00U H 0.467635 0.033071 0.851899 0.168 Uiso 1 1 calc R U . . .
H00V H 0.463527 0.022105 0.754499 0.168 Uiso 1 1 calc R U . . .
H00W H 0.331935 0.124704 0.793330 0.168 Uiso 1 1 calc R U . . .
C00U C 0.7235(6) 0.2034(7) 0.8227(4) 0.1133(17) Uani 1 1 d . U . . .
H00X H 0.789127 0.298934 0.816210 0.170 Uiso 1 1 calc R U . . .
H00Y H 0.751002 0.117257 0.785948 0.170 Uiso 1 1 calc R U . . .
H H 0.741996 0.165518 0.879507 0.170 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
N001 C004 1.297(3) . ?
N001 C005 1.385(3) . ?
O002 C009 1.217(3) . ?
N003 C007 1.408(3) . ?
N003 C009 1.372(3) . ?
N003 C00R 1.472(3) . ?
C004 C006 1.429(3) . ?
C004 C00C 1.515(3) . ?
C005 C00D 1.402(3) . ?
C005 C00E 1.408(3) . ?
C006 C007 1.417(3) . ?
C006 C00B 1.411(3) . ?
C007 C00M 1.384(4) . ?
C008 C00A 1.485(3) . ?
C008 C00I 1.391(4) . ?
C008 C00J 1.389(3) . ?
C009 C00C 1.529(3) . ?
C00A C00D 1.384(3) . ?
C00A C00L 1.407(4) . ?
C00B C00E 1.441(3) . ?
C00B C00H 1.411(3) . ?
C00C C00G 1.539(4) . ?
C00C C00P 1.539(3) . ?
C00D H00D 0.9300 . ?
C00E C00F 1.410(3) . ?
C00F H00F 0.9300 . ?
C00F C00L 1.368(4) . ?
C00G H00A 0.9700 . ?
C00G H00B 0.9700 . ?
C00G C00S 1.514(5) . ?
C00H H00H 0.9300 . ?
C00H C00O 1.362(4) . ?
C00I H00I 0.9300 . ?
C00I C00K 1.378(4) . ?
C00J H00J 0.9300 . ?
C00J C00Q 1.376(4) . ?
C00K H00K 0.9300 . ?
C00K C00N 1.366(4) . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9300 . ?
C00M C00O 1.385(4) . ?
C00N H00N 0.9300 . ?
C00N C00Q 1.365(5) . ?
C00O H00O 0.9300 . ?
C00P H00C 0.9600 . ?
C00P H00E 0.9600 . ?
C00P H00G 0.9600 . ?
C00Q H00Q 0.9300 . ?
C00R H00P 0.9600 . ?
C00R H00R 0.9600 . ?
C00R H00S 0.9600 . ?
C00S H00T 0.9800 . ?
C00S C00T 1.544(5) . ?
C00S C00U 1.482(6) . ?
C00T H00U 0.9600 . ?
C00T H00V 0.9600 . ?
C00T H00W 0.9600 . ?
C00U H00X 0.9600 . ?
C00U H00Y 0.9600 . ?
C00U H 0.9600 . ?

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
C004 N001 C005 118.48(18) . . ?
C007 N003 C00R 119.3(2) . . ?
C009 N003 C007 123.83(19) . . ?
C009 N003 C00R 116.7(2) . . ?
N001 C004 C006 124.26(19) . . ?
N001 C004 C00C 115.91(18) . . ?
C006 C004 C00C 119.76(18) . . ?
N001 C005 C00D 117.21(18) . . ?
N001 C005 C00E 122.53(19) . . ?
C00D C005 C00E 120.25(19) . . ?
C007 C006 C004 121.0(2) . . ?
C00B C006 C004 118.78(19) . . ?
C00B C006 C007 120.2(2) . . ?
N003 C007 C006 120.0(2) . . ?
C00M C007 N003 121.0(2) . . ?
C00M C007 C006 119.0(2) . . ?
C00I C008 C00A 121.9(2) . . ?
C00J C008 C00A 121.7(2) . . ?
C00J C008 C00I 116.5(2) . . ?
O002 C009 N003 120.6(2) . . ?
O002 C009 C00C 120.1(2) . . ?
N003 C009 C00C 119.2(2) . . ?
C00D C00A C008 121.7(2) . . ?
C00D C00A C00L 116.7(2) . . ?
C00L C00A C008 121.6(2) . . ?
C006 C00B C00E 117.38(19) . . ?
C006 C00B C00H 119.0(2) . . ?
C00H C00B C00E 123.7(2) . . ?
C004 C00C C009 114.87(18) . . ?
C004 C00C C00G 111.92(17) . . ?
C004 C00C C00P 107.1(2) . . ?
C009 C00C C00G 110.15(19) . . ?
C009 C00C C00P 103.66(19) . . ?
C00G C00C C00P 108.6(2) . . ?
C005 C00D H00D 118.9 . . ?
C00A C00D C005 122.3(2) . . ?
C00A C00D H00D 118.9 . . ?
C005 C00E C00B 118.5(2) . . ?
C005 C00E C00F 117.2(2) . . ?
C00F C00E C00B 124.2(2) . . ?
C00E C00F H00F 119.4 . . ?
C00L C00F C00E 121.3(2) . . ?
C00L C00F H00F 119.4 . . ?
C00C C00G H00A 107.7 . . ?
C00C C00G H00B 107.7 . . ?
H00A C00G H00B 107.1 . . ?
C00S C00G C00C 118.3(2) . . ?
C00S C00G H00A 107.7 . . ?
C00S C00G H00B 107.7 . . ?
C00B C00H H00H 120.3 . . ?
C00O C00H C00B 119.5(2) . . ?
C00O C00H H00H 120.3 . . ?
C008 C00I H00I 119.3 . . ?
C00K C00I C008 121.4(3) . . ?
C00K C00I H00I 119.3 . . ?
C008 C00J H00J 119.2 . . ?
C00Q C00J C008 121.5(3) . . ?
C00Q C00J H00J 119.2 . . ?
C00I C00K H00K 119.5 . . ?
C00N C00K C00I 121.0(3) . . ?
C00N C00K H00K 119.5 . . ?
C00A C00L H00L 118.9 . . ?
C00F C00L C00A 122.3(2) . . ?
C00F C00L H00L 118.9 . . ?
C007 C00M H00M 120.0 . . ?
C007 C00M C00O 120.0(2) . . ?
C00O C00M H00M 120.0 . . ?
C00K C00N H00N 120.7 . . ?
C00Q C00N C00K 118.6(3) . . ?
C00Q C00N H00N 120.7 . . ?
C00H C00O C00M 122.3(2) . . ?
C00H C00O H00O 118.9 . . ?
C00M C00O H00O 118.9 . . ?
C00C C00P H00C 109.5 . . ?
C00C C00P H00E 109.5 . . ?
C00C C00P H00G 109.5 . . ?
H00C C00P H00E 109.5 . . ?
H00C C00P H00G 109.5 . . ?
H00E C00P H00G 109.5 . . ?
C00J C00Q H00Q 119.5 . . ?
C00N C00Q C00J 121.0(3) . . ?
C00N C00Q H00Q 119.5 . . ?
N003 C00R H00P 109.5 . . ?
N003 C00R H00R 109.5 . . ?
N003 C00R H00S 109.5 . . ?
H00P C00R H00R 109.5 . . ?
H00P C00R H00S 109.5 . . ?
H00R C00R H00S 109.5 . . ?
C00G C00S H00T 107.2 . . ?
C00G C00S C00T 108.0(4) . . ?
C00T C00S H00T 107.2 . . ?
C00U C00S C00G 116.0(3) . . ?
C00U C00S H00T 107.2 . . ?
C00U C00S C00T 110.8(4) . . ?
C00S C00T H00U 109.5 . . ?
C00S C00T H00V 109.5 . . ?
C00S C00T H00W 109.5 . . ?
H00U C00T H00V 109.5 . . ?
H00U C00T H00W 109.5 . . ?
H00V C00T H00W 109.5 . . ?
C00S C00U H00X 109.5 . . ?
C00S C00U H00Y 109.5 . . ?
C00S C00U H 109.5 . . ?
H00X C00U H00Y 109.5 . . ?
H00X C00U H 109.5 . . ?
H00Y C00U H 109.5 . . ?

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
N001 C004 C006 C007 178.8(2) . . . . ?
N001 C004 C006 C00B 0.1(3) . . . . ?
N001 C004 C00C C009 172.78(19) . . . . ?
N001 C004 C00C C00G 46.2(3) . . . . ?
N001 C004 C00C C00P -72.7(3) . . . . ?
N001 C005 C00D C00A -179.5(2) . . . . ?
N001 C005 C00E C00B -1.4(3) . . . . ?
N001 C005 C00E C00F 179.3(2) . . . . ?
O002 C009 C00C C004 -170.3(2) . . . . ?
O002 C009 C00C C00G -42.9(3) . . . . ?
O002 C009 C00C C00P 73.1(3) . . . . ?
N003 C007 C00M C00O 177.5(3) . . . . ?
N003 C009 C00C C004 14.0(3) . . . . ?
N003 C009 C00C C00G 141.5(2) . . . . ?
N003 C009 C00C C00P -102.5(3) . . . . ?
C004 N001 C005 C00D -178.7(2) . . . . ?
C004 N001 C005 C00E 1.0(3) . . . . ?
C004 C006 C007 N003 3.1(4) . . . . ?
C004 C006 C007 C00M -177.4(2) . . . . ?
C004 C006 C00B C00E -0.5(3) . . . . ?
C004 C006 C00B C00H 179.2(2) . . . . ?
C004 C00C C00G C00S 53.7(3) . . . . ?
C005 N001 C004 C006 -0.3(3) . . . . ?
C005 N001 C004 C00C 176.55(19) . . . . ?
C005 C00E C00F C00L 0.0(4) . . . . ?
C006 C004 C00C C009 -10.2(3) . . . . ?
C006 C004 C00C C00G -136.8(2) . . . . ?
C006 C004 C00C C00P 104.3(2) . . . . ?
C006 C007 C00M C00O -2.0(4) . . . . ?
C006 C00B C00E C005 1.1(3) . . . . ?
C006 C00B C00E C00F -179.6(3) . . . . ?
C006 C00B C00H C00O -1.5(4) . . . . ?
C007 N003 C009 O002 174.4(2) . . . . ?
C007 N003 C009 C00C -10.0(4) . . . . ?
C007 C006 C00B C00E -179.2(2) . . . . ?
C007 C006 C00B C00H 0.5(4) . . . . ?
C007 C00M C00O C00H 1.0(5) . . . . ?
C008 C00A C00D C005 -178.8(2) . . . . ?
C008 C00A C00L C00F 177.9(3) . . . . ?
C008 C00I C00K C00N 0.1(5) . . . . ?
C008 C00J C00Q C00N 0.2(5) . . . . ?
C009 N003 C007 C006 1.1(4) . . . . ?
C009 N003 C007 C00M -178.4(3) . . . . ?
C009 C00C C00G C00S -75.4(3) . . . . ?
C00A C008 C00I C00K 177.4(3) . . . . ?
C00A C008 C00J C00Q -177.6(3) . . . . ?
C00B C006 C007 N003 -178.2(2) . . . . ?
C00B C006 C007 C00M 1.3(4) . . . . ?
C00B C00E C00F C00L -179.2(3) . . . . ?
C00B C00H C00O C00M 0.8(5) . . . . ?
C00C C004 C006 C007 2.1(3) . . . . ?
C00C C004 C006 C00B -176.6(2) . . . . ?
C00C C00G C00S C00T 179.8(3) . . . . ?
C00C C00G C00S C00U 54.8(4) . . . . ?
C00D C005 C00E C00B 178.3(2) . . . . ?
C00D C005 C00E C00F -1.0(3) . . . . ?
C00D C00A C00L C00F -1.3(4) . . . . ?
C00E C005 C00D C00A 0.8(3) . . . . ?
C00E C00B C00H C00O 178.2(3) . . . . ?
C00E C00F C00L C00A 1.2(5) . . . . ?
C00H C00B C00E C005 -178.5(2) . . . . ?
C00H C00B C00E C00F 0.7(4) . . . . ?
C00I C008 C00A C00D -10.7(4) . . . . ?
C00I C008 C00A C00L 170.1(3) . . . . ?
C00I C008 C00J C00Q 1.0(4) . . . . ?
C00I C00K C00N C00Q 1.2(5) . . . . ?
C00J C008 C00A C00D 167.8(2) . . . . ?
C00J C008 C00A C00L -11.3(4) . . . . ?
C00J C008 C00I C00K -1.2(4) . . . . ?
C00K C00N C00Q C00J -1.4(5) . . . . ?
C00L C00A C00D C005 0.3(4) . . . . ?
C00P C00C C00G C00S 171.7(2) . . . . ?
C00R N003 C007 C006 176.5(3) . . . . ?
C00R N003 C007 C00M -3.0(4) . . . . ?
C00R N003 C009 O002 -1.1(4) . . . . ?
C00R N003 C009 C00C 174.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
