# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_cu_2024082601_0m
_database_code_depnum_ccdc_archive 'CCDC 2417046'
loop_
_audit_author_name
_audit_author_address
'Jian-Jun Feng'
;Hunan University
China
;
_audit_update_record             
;
2025-01-14 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2024-08-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6380)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
racemic-(2S,4R)-5-(2-naphthoyl)-6'-chloro-1'-methyl-4-vinylspiro[bicyclo[3.1.1]heptane-2,3'-indolin]-2'-one
_chemical_formula_moiety         'C28 H24 Cl N O2'
_chemical_formula_sum            'C28 H24 Cl N O2'
_chemical_formula_weight         441.93
_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'
Cl Cl 0.3639 0.7018 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6756(2)
_cell_length_b                   12.5665(4)
_cell_length_c                   12.6858(4)
_cell_angle_alpha                111.1620(10)
_cell_angle_beta                 96.1770(10)
_cell_angle_gamma                102.0520(10)
_cell_volume                     1093.25(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      72.4325
_cell_measurement_theta_min      4.254
_shelx_estimated_absorpt_T_max   0.925
_shelx_estimated_absorpt_T_min   0.737
_exptl_absorpt_coefficient_mu    1.748
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.045
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21932
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.510
_diffrn_reflns_theta_min         3.914
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APX-II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3935
_reflns_number_total             4324
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4324
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.073
_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)+(0.0408P)²+0.3311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0860
_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.a Ternary CH refined with riding coordinates:
 C26(H26), C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C25(H25A,H25B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C21(H21), C18(H18), C27(H27), C8(H8), C19(H19), C3(H3), C5(H5),
 C6(H6), C4(H4), C7(H7)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cl1 Cl 1.53370(4) 0.92404(3) 0.30740(3) 0.03187(10) Uani 1 1 d . . . . .
O2 O 0.84096(12) 0.55103(8) 0.48316(8) 0.02385(19) Uani 1 1 d . . . . .
O1 O 0.20650(13) 0.42692(9) 0.07192(8) 0.0293(2) Uani 1 1 d . . . . .
N1 N 1.08178(14) 0.68825(9) 0.47294(9) 0.0201(2) Uani 1 1 d . . . . .
C23 C 1.01343(16) 0.66637(10) 0.28513(10) 0.0192(2) Uani 1 1 d . . . . .
C16 C 0.91852(16) 0.60257(11) 0.42928(10) 0.0196(2) Uani 1 1 d . . . . .
C26 C 0.61186(15) 0.38361(10) 0.18812(10) 0.0180(2) Uani 1 1 d . . . . .
H26 H 0.594921 0.345379 0.244450 0.022 Uiso 1 1 calc R U . . .
C9 C 0.17092(16) 0.18634(11) 0.29160(11) 0.0213(2) Uani 1 1 d . . . . .
C17 C 0.85329(16) 0.58680(10) 0.30376(10) 0.0188(2) Uani 1 1 d . . . . .
C22 C 1.14101(16) 0.72594(10) 0.38867(10) 0.0192(2) Uani 1 1 d . . . . .
C13 C 0.52240(16) 0.55650(10) 0.32773(10) 0.0198(2) Uani 1 1 d . . . . .
H13A H 0.423681 0.594805 0.348764 0.024 Uiso 1 1 calc R U . . .
H13B H 0.562603 0.525585 0.385022 0.024 Uiso 1 1 calc R U . . .
C25 C 0.81250(16) 0.45681(10) 0.21617(10) 0.0198(2) Uani 1 1 d . . . . .
H25A H 0.847690 0.457039 0.143418 0.024 Uiso 1 1 calc R U . . .
H25B H 0.889994 0.416608 0.247011 0.024 Uiso 1 1 calc R U . . .
C1 C 0.25296(16) 0.28755(11) 0.27173(10) 0.0207(2) Uani 1 1 d . . . . .
H1 H 0.349580 0.347999 0.328713 0.025 Uiso 1 1 calc R U . . .
C12 C 0.48352(16) 0.46628(10) 0.19986(10) 0.0183(2) Uani 1 1 d . . . . .
C11 C 0.28707(16) 0.40046(11) 0.14278(10) 0.0206(2) Uani 1 1 d . . . . .
C15 C 0.56874(16) 0.57301(11) 0.17047(11) 0.0212(2) Uani 1 1 d . . . . .
H15A H 0.643609 0.554633 0.110766 0.025 Uiso 1 1 calc R U . . .
H15B H 0.481151 0.615285 0.153632 0.025 Uiso 1 1 calc R U . . .
C21 C 1.30262(16) 0.80700(11) 0.39978(11) 0.0212(2) Uani 1 1 d . . . . .
H21 H 1.387838 0.847871 0.470820 0.025 Uiso 1 1 calc R U . . .
C18 C 1.04872(17) 0.68493(11) 0.18802(11) 0.0227(3) Uani 1 1 d . . . . .
H18 H 0.964330 0.643353 0.116692 0.027 Uiso 1 1 calc R U . . .
C10 C 0.02484(17) 0.09687(11) 0.20654(11) 0.0239(3) Uani 1 1 d . . . . .
C14 C 0.67953(16) 0.63115(10) 0.29606(10) 0.0197(2) Uani 1 1 d . . . . .
H14 H 0.699791 0.718836 0.334312 0.024 Uiso 1 1 calc R U . . .
C27 C 0.56960(17) 0.28837(12) 0.06850(11) 0.0240(3) Uani 1 1 d . . . . .
H27 H 0.575117 0.312921 0.006065 0.029 Uiso 1 1 calc R U . . .
C2 C 0.19491(16) 0.29965(11) 0.17127(10) 0.0209(2) Uani 1 1 d . . . . .
C8 C 0.23183(18) 0.17151(12) 0.39356(11) 0.0254(3) Uani 1 1 d . . . . .
H8 H 0.328481 0.231301 0.451112 0.031 Uiso 1 1 calc R U . . .
C19 C 1.21052(17) 0.76585(12) 0.19580(11) 0.0236(3) Uani 1 1 d . . . . .
H19 H 1.236568 0.780203 0.129839 0.028 Uiso 1 1 calc R U . . .
C3 C 0.04508(17) 0.21208(12) 0.08865(11) 0.0258(3) Uani 1 1 d . . . . .
H3 H 0.001442 0.221798 0.020633 0.031 Uiso 1 1 calc R U . . .
C24 C 1.18777(18) 0.72656(12) 0.58798(11) 0.0250(3) Uani 1 1 d . . . . .
H24A H 1.118104 0.689863 0.632136 0.037 Uiso 1 1 calc R U . . .
H24B H 1.215545 0.812924 0.626681 0.037 Uiso 1 1 calc R U . . .
H24C H 1.301390 0.702830 0.582978 0.037 Uiso 1 1 calc R U . . .
C5 C -0.05357(18) -0.00539(12) 0.22600(13) 0.0299(3) Uani 1 1 d . . . . .
H5 H -0.150570 -0.066183 0.169661 0.036 Uiso 1 1 calc R U . . .
C6 C 0.0092(2) -0.01728(12) 0.32509(13) 0.0315(3) Uani 1 1 d . . . . .
H6 H -0.044671 -0.086351 0.336778 0.038 Uiso 1 1 calc R U . . .
C20 C 1.33183(16) 0.82459(11) 0.30003(11) 0.0223(3) Uani 1 1 d . . . . .
C4 C -0.03722(17) 0.11384(12) 0.10584(12) 0.0276(3) Uani 1 1 d . . . . .
H4 H -0.137408 0.056111 0.049537 0.033 Uiso 1 1 calc R U . . .
C7 C 0.15287(19) 0.07179(12) 0.41019(13) 0.0297(3) Uani 1 1 d . . . . .
H7 H 0.194900 0.062747 0.478871 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5255(2) 0.17360(13) 0.04326(14) 0.0357(3) Uani 1 1 d . . . . .
H28A H 0.500(3) 0.1165(18) -0.0337(18) 0.046(5) Uiso 1 1 d . . . . .
H28B H 0.517(3) 0.1440(17) 0.1045(17) 0.044(5) Uiso 1 1 d . . . . .


_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
Cl1 C20 1.7457(12) . ?
O2 C16 1.2196(15) . ?
O1 C11 1.2178(16) . ?
N1 C16 1.3758(16) . ?
N1 C22 1.3978(15) . ?
N1 C24 1.4481(15) . ?
C23 C17 1.5121(16) . ?
C23 C22 1.3971(17) . ?
C23 C18 1.3778(18) . ?
C16 C17 1.5441(16) . ?
C26 H26 1.0000 . ?
C26 C25 1.5487(15) . ?
C26 C12 1.5553(15) . ?
C26 C27 1.5037(16) . ?
C9 C1 1.4173(17) . ?
C9 C10 1.4222(18) . ?
C9 C8 1.4166(18) . ?
C17 C25 1.5500(16) . ?
C17 C14 1.5558(16) . ?
C22 C21 1.3883(17) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C12 1.5596(16) . ?
C13 C14 1.5491(16) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C1 H1 0.9500 . ?
C1 C2 1.3754(17) . ?
C12 C11 1.5146(16) . ?
C12 C15 1.5533(16) . ?
C11 C2 1.4991(17) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C14 1.5504(16) . ?
C21 H21 0.9500 . ?
C21 C20 1.3938(18) . ?
C18 H18 0.9500 . ?
C18 C19 1.4000(18) . ?
C10 C5 1.4187(18) . ?
C10 C4 1.4187(19) . ?
C14 H14 1.0000 . ?
C27 H27 0.9500 . ?
C27 C28 1.318(2) . ?
C2 C3 1.4182(17) . ?
C8 H8 0.9500 . ?
C8 C7 1.3723(19) . ?
C19 H19 0.9500 . ?
C19 C20 1.3797(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.3671(19) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C6 1.367(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.411(2) . ?
C4 H4 0.9500 . ?
C7 H7 0.9500 . ?
C28 H28A 0.95(2) . ?
C28 H28B 0.98(2) . ?

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
C16 N1 C22 111.32(10) . . ?
C16 N1 C24 124.50(10) . . ?
C22 N1 C24 123.93(10) . . ?
C22 C23 C17 108.95(10) . . ?
C18 C23 C17 131.31(11) . . ?
C18 C23 C22 119.73(11) . . ?
O2 C16 N1 124.66(11) . . ?
O2 C16 C17 127.37(11) . . ?
N1 C16 C17 107.96(10) . . ?
C25 C26 H26 108.7 . . ?
C25 C26 C12 109.98(9) . . ?
C12 C26 H26 108.7 . . ?
C27 C26 H26 108.7 . . ?
C27 C26 C25 109.35(9) . . ?
C27 C26 C12 111.25(10) . . ?
C1 C9 C10 119.18(12) . . ?
C8 C9 C1 121.67(12) . . ?
C8 C9 C10 119.15(12) . . ?
C23 C17 C16 101.71(9) . . ?
C23 C17 C25 111.80(9) . . ?
C23 C17 C14 111.50(10) . . ?
C16 C17 C25 112.97(10) . . ?
C16 C17 C14 109.34(9) . . ?
C25 C17 C14 109.36(10) . . ?
C23 C22 N1 109.74(10) . . ?
C21 C22 N1 127.50(11) . . ?
C21 C22 C23 122.74(11) . . ?
H13A C13 H13B 111.4 . . ?
C12 C13 H13A 114.3 . . ?
C12 C13 H13B 114.3 . . ?
C14 C13 H13A 114.3 . . ?
C14 C13 H13B 114.3 . . ?
C14 C13 C12 86.33(9) . . ?
C26 C25 C17 115.14(9) . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C17 C25 H25A 108.5 . . ?
C17 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C9 C1 H1 119.5 . . ?
C2 C1 C9 121.05(11) . . ?
C2 C1 H1 119.5 . . ?
C26 C12 C13 109.05(9) . . ?
C11 C12 C26 113.48(10) . . ?
C11 C12 C13 117.39(9) . . ?
C11 C12 C15 116.80(10) . . ?
C15 C12 C26 110.48(9) . . ?
C15 C12 C13 86.74(9) . . ?
O1 C11 C12 120.31(11) . . ?
O1 C11 C2 120.33(11) . . ?
C2 C11 C12 119.32(10) . . ?
C12 C15 H15A 114.2 . . ?
C12 C15 H15B 114.2 . . ?
H15A C15 H15B 111.4 . . ?
C14 C15 C12 86.50(9) . . ?
C14 C15 H15A 114.2 . . ?
C14 C15 H15B 114.2 . . ?
C22 C21 H21 122.1 . . ?
C22 C21 C20 115.72(11) . . ?
C20 C21 H21 122.1 . . ?
C23 C18 H18 120.4 . . ?
C23 C18 C19 119.16(12) . . ?
C19 C18 H18 120.4 . . ?
C5 C10 C9 118.76(12) . . ?
C4 C10 C9 118.60(12) . . ?
C4 C10 C5 122.64(12) . . ?
C17 C14 H14 115.1 . . ?
C13 C14 C17 110.82(10) . . ?
C13 C14 C15 87.21(9) . . ?
C13 C14 H14 115.1 . . ?
C15 C14 C17 110.26(10) . . ?
C15 C14 H14 115.1 . . ?
C26 C27 H27 117.4 . . ?
C28 C27 C26 125.28(13) . . ?
C28 C27 H27 117.4 . . ?
C1 C2 C11 122.76(11) . . ?
C1 C2 C3 119.42(12) . . ?
C3 C2 C11 117.79(11) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 C9 120.78(13) . . ?
C7 C8 H8 119.6 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.46(11) . . ?
C20 C19 H19 120.3 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.71(12) . . ?
C4 C3 H3 119.6 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C10 C5 H5 119.7 . . ?
C6 C5 C10 120.62(13) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.81(13) . . ?
C7 C6 H6 119.6 . . ?
C21 C20 Cl1 118.14(10) . . ?
C19 C20 Cl1 118.68(10) . . ?
C19 C20 C21 123.17(11) . . ?
C10 C4 H4 119.5 . . ?
C3 C4 C10 120.95(12) . . ?
C3 C4 H4 119.5 . . ?
C8 C7 C6 119.88(13) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C27 C28 H28A 122.4(12) . . ?
C27 C28 H28B 120.4(12) . . ?
H28A C28 H28B 117.2(17) . . ?

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
O2 C16 C17 C23 -175.54(12) . . . . ?
O2 C16 C17 C25 -55.56(16) . . . . ?
O2 C16 C17 C14 66.47(15) . . . . ?
O1 C11 C2 C1 -159.51(12) . . . . ?
O1 C11 C2 C3 22.37(17) . . . . ?
N1 C16 C17 C23 5.54(12) . . . . ?
N1 C16 C17 C25 125.52(10) . . . . ?
N1 C16 C17 C14 -112.45(10) . . . . ?
N1 C22 C21 C20 177.11(11) . . . . ?
C23 C17 C25 C26 -152.36(10) . . . . ?
C23 C17 C14 C13 -174.15(10) . . . . ?
C23 C17 C14 C15 90.98(12) . . . . ?
C23 C22 C21 C20 -0.85(17) . . . . ?
C23 C18 C19 C20 0.50(19) . . . . ?
C16 N1 C22 C23 1.22(14) . . . . ?
C16 N1 C22 C21 -176.96(11) . . . . ?
C16 C17 C25 C26 93.63(12) . . . . ?
C16 C17 C14 C13 -62.48(12) . . . . ?
C16 C17 C14 C15 -157.35(9) . . . . ?
C26 C12 C11 O1 -125.76(12) . . . . ?
C26 C12 C11 C2 52.10(14) . . . . ?
C26 C12 C15 C14 -82.21(10) . . . . ?
C9 C1 C2 C11 -175.13(11) . . . . ?
C9 C1 C2 C3 2.96(17) . . . . ?
C9 C10 C5 C6 0.52(18) . . . . ?
C9 C10 C4 C3 2.16(18) . . . . ?
C9 C8 C7 C6 -0.06(19) . . . . ?
C17 C23 C22 N1 2.61(13) . . . . ?
C17 C23 C22 C21 -179.11(11) . . . . ?
C17 C23 C18 C19 179.59(12) . . . . ?
C22 N1 C16 O2 176.63(11) . . . . ?
C22 N1 C16 C17 -4.42(13) . . . . ?
C22 C23 C17 C16 -4.86(12) . . . . ?
C22 C23 C17 C25 -125.66(11) . . . . ?
C22 C23 C17 C14 111.56(11) . . . . ?
C22 C23 C18 C19 -1.63(18) . . . . ?
C22 C21 C20 Cl1 -179.23(9) . . . . ?
C22 C21 C20 C19 -0.33(18) . . . . ?
C13 C12 C11 O1 105.49(13) . . . . ?
C13 C12 C11 C2 -76.65(14) . . . . ?
C13 C12 C15 C14 26.92(8) . . . . ?
C25 C26 C12 C13 -63.34(12) . . . . ?
C25 C26 C12 C11 163.76(10) . . . . ?
C25 C26 C12 C15 30.37(12) . . . . ?
C25 C26 C27 C28 115.82(14) . . . . ?
C25 C17 C14 C13 61.69(12) . . . . ?
C25 C17 C14 C15 -33.18(13) . . . . ?
C1 C9 C10 C5 178.54(11) . . . . ?
C1 C9 C10 C4 -1.79(17) . . . . ?
C1 C9 C8 C7 -178.74(12) . . . . ?
C1 C2 C3 C4 -2.60(18) . . . . ?
C12 C26 C25 C17 29.76(13) . . . . ?
C12 C26 C27 C28 -122.50(14) . . . . ?
C12 C13 C14 C17 -83.64(10) . . . . ?
C12 C13 C14 C15 27.00(8) . . . . ?
C12 C11 C2 C1 22.63(17) . . . . ?
C12 C11 C2 C3 -155.48(11) . . . . ?
C12 C15 C14 C17 84.08(10) . . . . ?
C12 C15 C14 C13 -27.11(8) . . . . ?
C11 C12 C15 C14 146.10(10) . . . . ?
C11 C2 C3 C4 175.58(11) . . . . ?
C15 C12 C11 O1 4.54(16) . . . . ?
C15 C12 C11 C2 -177.60(10) . . . . ?
C18 C23 C17 C16 174.01(13) . . . . ?
C18 C23 C17 C25 53.21(17) . . . . ?
C18 C23 C17 C14 -69.56(16) . . . . ?
C18 C23 C22 N1 -176.42(11) . . . . ?
C18 C23 C22 C21 1.86(18) . . . . ?
C18 C19 C20 Cl1 179.39(10) . . . . ?
C18 C19 C20 C21 0.50(19) . . . . ?
C10 C9 C1 C2 -0.77(17) . . . . ?
C10 C9 C8 C7 0.67(18) . . . . ?
C10 C5 C6 C7 0.1(2) . . . . ?
C14 C17 C25 C26 -28.38(13) . . . . ?
C14 C13 C12 C26 83.60(10) . . . . ?
C14 C13 C12 C11 -145.58(10) . . . . ?
C14 C13 C12 C15 -26.95(8) . . . . ?
C27 C26 C25 C17 152.20(10) . . . . ?
C27 C26 C12 C13 175.34(10) . . . . ?
C27 C26 C12 C11 42.44(13) . . . . ?
C27 C26 C12 C15 -90.94(12) . . . . ?
C2 C3 C4 C10 0.01(19) . . . . ?
C8 C9 C1 C2 178.64(11) . . . . ?
C8 C9 C10 C5 -0.89(17) . . . . ?
C8 C9 C10 C4 178.79(11) . . . . ?
C24 N1 C16 O2 2.19(19) . . . . ?
C24 N1 C16 C17 -178.85(11) . . . . ?
C24 N1 C22 C23 175.69(11) . . . . ?
C24 N1 C22 C21 -2.48(19) . . . . ?
C5 C10 C4 C3 -178.17(12) . . . . ?
C5 C6 C7 C8 -0.3(2) . . . . ?
C4 C10 C5 C6 -179.15(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
