# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20221013WM_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2271201'
loop_
_audit_author_name
_audit_author_address
'Wang Meng'
;Chengdu University of Traditional Chinese Medicine
China
;
_audit_update_record             
;
2023-06-21 deposited with the CCDC.	2023-12-10 downloaded from the CCDC.
;
_audit_creation_date             2023-06-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H27 N3 O5'
_chemical_formula_sum            'C33 H27 N3 O5'
_chemical_formula_weight         545.57
_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 0.0181 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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.3523(6)
_cell_length_b                   15.4661(6)
_cell_length_c                   10.0487(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.175(2)
_cell_angle_gamma                90
_cell_volume                     2798.13(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5655
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.09
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_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             1144
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            32786
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.806
_diffrn_reflns_theta_min         2.454
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2727
_reflns_number_total             5117
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       0.0024(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         5117
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0575
_refine_ls_restrained_S_all      1.132
_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)+(0.0750P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1782
_refine_special_details          ?
_olex2_refinement_description    
;
1. Rigid bond restraints
 O1G, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
2.a Secondary CH2 refined with riding coordinates:
 C00L(H00A,H00B), C00P(H00C,H00D)
2.b Me refined with riding coordinates:
 C1(H1A,H1B,H1C)
2.c Aromatic/amide H refined with riding coordinates:
 N006(H006), C00K(H00K), C00M(H00M), C00N(H00N), C00O(H00O), C00Q(H00Q),
 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   mixed
_atom_sites_solution_primary     ?
_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 0.73882(10) 0.42119(12) 0.64520(19) 0.0764(5) Uani 1 1 d . . . . .
H1 H 0.7838(19) 0.725(2) 0.906(4) 0.115(13) Uiso 1 1 d . . . . .
C1 C 0.9872(4) 1.0755(4) 0.7928(7) 0.186(2) Uani 1 1 d . U . . .
H1A H 1.021953 1.116460 0.769164 0.280 Uiso 1 1 calc R U . . .
H1B H 0.939084 1.101858 0.782113 0.280 Uiso 1 1 calc R U . . .
H1C H 1.003356 1.057885 0.885466 0.280 Uiso 1 1 calc R U . . .
O002 O 0.59792(10) 0.45749(13) 0.5479(2) 0.0802(6) Uani 1 1 d . . . . .
O003 O 0.77722(11) 0.68174(13) 0.61487(19) 0.0853(6) Uani 1 1 d . . . . .
O004 O 0.81900(12) 0.52969(15) 0.8123(2) 0.0946(7) Uani 1 1 d . . . . .
N005 N 0.70633(12) 0.49468(15) 0.6883(2) 0.0710(6) Uani 1 1 d . . . . .
N006 N 0.53150(12) 0.61425(15) 0.6336(2) 0.0724(6) Uani 1 1 d . . . . .
H006 H 0.496701 0.586848 0.580589 0.087 Uiso 1 1 calc R U . . .
N007 N 0.76821(14) 0.70041(17) 0.8331(2) 0.0777(7) Uani 1 1 d . . . . .
C008 C 0.63158(15) 0.50788(18) 0.6321(3) 0.0667(7) Uani 1 1 d . . . . .
C009 C 0.64213(14) 0.64359(18) 0.7658(3) 0.0685(7) Uani 1 1 d . . . . .
C00A C 0.79551(15) 0.72186(19) 0.7226(3) 0.0724(7) Uani 1 1 d . . . . .
C00B C 0.84730(14) 0.79659(19) 0.7348(3) 0.0696(7) Uani 1 1 d . . . . .
C00C C 0.59430(16) 0.71579(19) 0.7732(3) 0.0736(7) Uani 1 1 d . . . . .
C00D C 0.60240(14) 0.58474(17) 0.6793(3) 0.0662(7) Uani 1 1 d . . . . .
C00E C 0.71961(15) 0.62614(19) 0.8367(3) 0.0732(7) Uani 1 1 d . . . . .
C00F C 0.75410(17) 0.54828(19) 0.7783(3) 0.0751(7) Uani 1 1 d . . . . .
C00H C 0.52558(16) 0.69510(19) 0.6872(3) 0.0739(7) Uani 1 1 d . . . . .
C00I C 0.68477(17) 0.5276(2) 1.0263(3) 0.0798(8) Uani 1 1 d . . . . .
C00J C 0.81147(17) 0.3633(2) 0.4998(3) 0.0797(8) Uani 1 1 d . . . . .
C00K C 0.84473(18) 0.8659(2) 0.8198(3) 0.0832(8) Uani 1 1 d . . . . .
H00K H 0.812480 0.864555 0.880608 0.100 Uiso 1 1 calc R U . . .
C00L C 0.72383(17) 0.6066(2) 0.9905(3) 0.0815(8) Uani 1 1 d . . . . .
H00A H 0.775820 0.601864 1.033197 0.098 Uiso 1 1 calc R U . . .
H00B H 0.703807 0.656141 1.030597 0.098 Uiso 1 1 calc R U . . .
C00M C 0.89704(16) 0.8006(2) 0.6461(3) 0.0871(9) Uani 1 1 d . . . . .
H00M H 0.900363 0.754065 0.588947 0.105 Uiso 1 1 calc R U . . .
C00N C 0.46624(18) 0.7527(2) 0.6640(3) 0.0875(9) Uani 1 1 d . . . . .
H00N H 0.421648 0.738431 0.606982 0.105 Uiso 1 1 calc R U . . .
C00O C 0.6013(2) 0.7959(2) 0.8388(3) 0.0897(9) Uani 1 1 d . . . . .
H00O H 0.645106 0.810940 0.897669 0.108 Uiso 1 1 calc R U . . .
C00P C 0.7721(2) 0.4425(2) 0.5286(3) 0.0947(10) Uani 1 1 d . . . . .
H00C H 0.806596 0.490370 0.549781 0.114 Uiso 1 1 calc R U . . .
H00D H 0.734132 0.458222 0.451132 0.114 Uiso 1 1 calc R U . . .
C00Q C 0.8896(2) 0.9375(2) 0.8158(3) 0.0933(9) Uani 1 1 d . . . . .
H00Q H 0.887178 0.984096 0.873372 0.112 Uiso 1 1 calc R U . . .
C00R C 0.93753(19) 0.9396(3) 0.7268(4) 0.0974(10) Uani 1 1 d . . . . .
C00S C 0.94098(18) 0.8714(3) 0.6417(4) 0.1033(11) Uani 1 1 d . . . . .
H00S H 0.973188 0.873265 0.580768 0.124 Uiso 1 1 calc R U . . .
C00T C 0.6159(2) 0.5332(3) 1.0611(4) 0.1043(11) Uani 1 1 d . . . . .
H00T H 0.591828 0.586402 1.056496 0.125 Uiso 1 1 calc R U . . .
C00U C 0.4758(2) 0.8307(2) 0.7277(4) 0.1018(11) Uani 1 1 d . . . . .
H00U H 0.437237 0.870748 0.713282 0.122 Uiso 1 1 calc R U . . .
C00V C 0.5426(2) 0.8517(2) 0.8146(4) 0.1018(10) Uani 1 1 d . . . . .
H00V H 0.547183 0.905319 0.857176 0.122 Uiso 1 1 calc R U . . .
C00W C 0.7180(2) 0.4477(2) 1.0332(4) 0.1022(10) Uani 1 1 d . . . . .
H00W H 0.764692 0.442507 1.011033 0.123 Uiso 1 1 calc R U . . .
C00X C 0.8813(2) 0.3452(3) 0.5694(4) 0.1086(11) Uani 1 1 d . . . . .
H00X H 0.905307 0.384195 0.633745 0.130 Uiso 1 1 calc R U . . .
C00Y C 0.6838(3) 0.3749(3) 1.0722(4) 0.1214(13) Uani 1 1 d . . . . .
H00Y H 0.706705 0.321200 1.073794 0.146 Uiso 1 1 calc R U . . .
C00Z C 0.7782(2) 0.3058(3) 0.4045(4) 0.1165(13) Uani 1 1 d . . . . .
H00Z H 0.731270 0.317893 0.354009 0.140 Uiso 1 1 calc R U . . .
C010 C 0.6161(3) 0.3828(3) 1.1083(4) 0.1233(14) Uani 1 1 d . . . . .
H010 H 0.593060 0.334510 1.136885 0.148 Uiso 1 1 calc R U . . .
C011 C 0.5824(3) 0.4616(4) 1.1023(4) 0.1260(14) Uani 1 1 d . . . . .
H011 H 0.536194 0.466854 1.126459 0.151 Uiso 1 1 calc R U . . .
C012 C 0.8132(4) 0.2302(4) 0.3819(6) 0.159(2) Uani 1 1 d . . . . .
H012 H 0.789964 0.191295 0.316699 0.191 Uiso 1 1 calc R U . . .
C013 C 0.8812(4) 0.2125(4) 0.4543(8) 0.166(2) Uani 1 1 d . . . . .
H013 H 0.904036 0.160268 0.441469 0.199 Uiso 1 1 calc R U . . .
C014 C 0.9166(3) 0.2700(4) 0.5456(6) 0.1502(18) Uani 1 1 d . . . . .
H014 H 0.964571 0.258810 0.592051 0.180 Uiso 1 1 calc R U . . .
O1G O 0.98357(17) 1.0070(2) 0.7123(4) 0.1451(11) Uani 1 1 d . 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 N005 1.391(3) . ?
O001 C00P 1.461(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 O1G 1.328(6) . ?
O002 C008 1.225(3) . ?
O003 C00A 1.236(3) . ?
O004 C00F 1.208(3) . ?
N005 C008 1.394(3) . ?
N005 C00F 1.403(3) . ?
N006 H006 0.8600 . ?
N006 C00D 1.371(3) . ?
N006 C00H 1.374(3) . ?
N007 H1 0.83(4) . ?
N007 C00A 1.345(4) . ?
N007 C00E 1.459(4) . ?
C008 C00D 1.422(4) . ?
C009 C00C 1.431(4) . ?
C009 C00D 1.368(4) . ?
C009 C00E 1.486(4) . ?
C00A C00B 1.486(4) . ?
C00B C00K 1.377(4) . ?
C00B C00M 1.395(4) . ?
C00C C00H 1.420(4) . ?
C00C C00O 1.398(4) . ?
C00E C00F 1.529(4) . ?
C00E C00L 1.562(4) . ?
C00H C00N 1.391(4) . ?
C00I C00L 1.496(4) . ?
C00I C00T 1.378(5) . ?
C00I C00W 1.373(4) . ?
C00J C00P 1.479(4) . ?
C00J C00X 1.365(4) . ?
C00J C00Z 1.362(4) . ?
C00K H00K 0.9300 . ?
C00K C00Q 1.386(4) . ?
C00L H00A 0.9700 . ?
C00L H00B 0.9700 . ?
C00M H00M 0.9300 . ?
C00M C00S 1.366(4) . ?
C00N H00N 0.9300 . ?
C00N C00U 1.361(5) . ?
C00O H00O 0.9300 . ?
C00O C00V 1.365(5) . ?
C00P H00C 0.9700 . ?
C00P H00D 0.9700 . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.371(5) . ?
C00R C00S 1.367(5) . ?
C00R O1G 1.367(4) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C011 1.369(5) . ?
C00U H00U 0.9300 . ?
C00U C00V 1.398(5) . ?
C00V H00V 0.9300 . ?
C00W H00W 0.9300 . ?
C00W C00Y 1.382(5) . ?
C00X H00X 0.9300 . ?
C00X C014 1.374(6) . ?
C00Y H00Y 0.9300 . ?
C00Y C010 1.366(6) . ?
C00Z H00Z 0.9300 . ?
C00Z C012 1.375(6) . ?
C010 H010 0.9300 . ?
C010 C011 1.364(6) . ?
C011 H011 0.9300 . ?
C012 H012 0.9300 . ?
C012 C013 1.345(8) . ?
C013 H013 0.9300 . ?
C013 C014 1.350(8) . ?
C014 H014 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
N005 O001 C00P 109.7(2) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1G C1 H1A 109.5 . . ?
O1G C1 H1B 109.5 . . ?
O1G C1 H1C 109.5 . . ?
O001 N005 C008 116.2(2) . . ?
O001 N005 C00F 115.6(2) . . ?
C008 N005 C00F 128.2(2) . . ?
C00D N006 H006 125.9 . . ?
C00D N006 C00H 108.3(2) . . ?
C00H N006 H006 125.9 . . ?
C00A N007 H1 120(3) . . ?
C00A N007 C00E 122.8(2) . . ?
C00E N007 H1 117(3) . . ?
O002 C008 N005 120.7(2) . . ?
O002 C008 C00D 126.1(3) . . ?
N005 C008 C00D 113.1(2) . . ?
C00C C009 C00E 131.0(2) . . ?
C00D C009 C00C 107.2(2) . . ?
C00D C009 C00E 121.8(3) . . ?
O003 C00A N007 121.2(3) . . ?
O003 C00A C00B 121.5(3) . . ?
N007 C00A C00B 117.3(2) . . ?
C00K C00B C00A 123.9(3) . . ?
C00K C00B C00M 117.8(3) . . ?
C00M C00B C00A 118.0(3) . . ?
C00H C00C C009 105.9(2) . . ?
C00O C00C C009 135.6(3) . . ?
C00O C00C C00H 118.5(3) . . ?
N006 C00D C008 124.1(2) . . ?
C009 C00D N006 110.2(2) . . ?
C009 C00D C008 125.4(2) . . ?
N007 C00E C009 112.2(2) . . ?
N007 C00E C00F 108.0(2) . . ?
N007 C00E C00L 105.3(2) . . ?
C009 C00E C00F 112.8(2) . . ?
C009 C00E C00L 111.6(2) . . ?
C00F C00E C00L 106.4(2) . . ?
O004 C00F N005 120.0(3) . . ?
O004 C00F C00E 122.5(3) . . ?
N005 C00F C00E 117.4(2) . . ?
N006 C00H C00C 108.4(2) . . ?
N006 C00H C00N 129.5(3) . . ?
C00N C00H C00C 122.1(3) . . ?
C00T C00I C00L 121.0(3) . . ?
C00W C00I C00L 121.2(3) . . ?
C00W C00I C00T 117.7(3) . . ?
C00X C00J C00P 121.0(3) . . ?
C00Z C00J C00P 120.6(3) . . ?
C00Z C00J C00X 118.4(3) . . ?
C00B C00K H00K 119.6 . . ?
C00B C00K C00Q 120.9(3) . . ?
C00Q C00K H00K 119.6 . . ?
C00E C00L H00A 107.9 . . ?
C00E C00L H00B 107.9 . . ?
C00I C00L C00E 117.5(2) . . ?
C00I C00L H00A 107.9 . . ?
C00I C00L H00B 107.9 . . ?
H00A C00L H00B 107.2 . . ?
C00B C00M H00M 119.3 . . ?
C00S C00M C00B 121.3(3) . . ?
C00S C00M H00M 119.3 . . ?
C00H C00N H00N 121.2 . . ?
C00U C00N C00H 117.6(3) . . ?
C00U C00N H00N 121.2 . . ?
C00C C00O H00O 120.7 . . ?
C00V C00O C00C 118.6(3) . . ?
C00V C00O H00O 120.7 . . ?
O001 C00P C00J 105.4(2) . . ?
O001 C00P H00C 110.7 . . ?
O001 C00P H00D 110.7 . . ?
C00J C00P H00C 110.7 . . ?
C00J C00P H00D 110.7 . . ?
H00C C00P H00D 108.8 . . ?
C00K C00Q H00Q 120.1 . . ?
C00R C00Q C00K 119.8(3) . . ?
C00R C00Q H00Q 120.1 . . ?
C00S C00R C00Q 120.3(3) . . ?
C00S C00R O1G 114.6(4) . . ?
O1G C00R C00Q 125.1(4) . . ?
C00M C00S C00R 119.9(3) . . ?
C00M C00S H00S 120.0 . . ?
C00R C00S H00S 120.0 . . ?
C00I C00T H00T 119.6 . . ?
C011 C00T C00I 120.8(4) . . ?
C011 C00T H00T 119.6 . . ?
C00N C00U H00U 119.5 . . ?
C00N C00U C00V 121.1(3) . . ?
C00V C00U H00U 119.5 . . ?
C00O C00V C00U 122.1(3) . . ?
C00O C00V H00V 118.9 . . ?
C00U C00V H00V 118.9 . . ?
C00I C00W H00W 119.1 . . ?
C00I C00W C00Y 121.7(4) . . ?
C00Y C00W H00W 119.1 . . ?
C00J C00X H00X 119.6 . . ?
C00J C00X C014 120.7(4) . . ?
C014 C00X H00X 119.6 . . ?
C00W C00Y H00Y 120.3 . . ?
C010 C00Y C00W 119.3(4) . . ?
C010 C00Y H00Y 120.3 . . ?
C00J C00Z H00Z 119.6 . . ?
C00J C00Z C012 120.8(4) . . ?
C012 C00Z H00Z 119.6 . . ?
C00Y C010 H010 120.2 . . ?
C011 C010 C00Y 119.7(4) . . ?
C011 C010 H010 120.2 . . ?
C00T C011 H011 119.6 . . ?
C010 C011 C00T 120.7(4) . . ?
C010 C011 H011 119.6 . . ?
C00Z C012 H012 120.1 . . ?
C013 C012 C00Z 119.9(5) . . ?
C013 C012 H012 120.1 . . ?
C012 C013 H013 119.8 . . ?
C012 C013 C014 120.4(5) . . ?
C014 C013 H013 119.8 . . ?
C00X C014 H014 120.1 . . ?
C013 C014 C00X 119.7(5) . . ?
C013 C014 H014 120.1 . . ?
C1 O1G C00R 120.2(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
