# Electronic Supplementary Material (ESI) for Chemical Science.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_nas10463_6b
_database_code_depnum_ccdc_archive 'CCDC 2264151'
loop_
_audit_author_name
_audit_author_address
'Constantin G. Daniliuc'
;Organisch Chemisches Institut WWU University of Muenster
Germany
;
_audit_update_record             
;
2023-05-19 deposited with the CCDC.	2023-08-31 downloaded from the CCDC.
;

_audit_creation_method           'APEX4 v2021.4-0'
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22 Cl N O4'
_chemical_formula_iupac          ?
_chemical_formula_weight         435.88

_chemical_melting_point          ?

_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                   12.4061(4)
_cell_length_b                   15.0978(5)
_cell_length_c                   11.6059(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.8060(10)
_cell_angle_gamma                90
_cell_volume                     2080.99(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.2760
_cell_measurement_theta_max      26.7392
_cell_measurement_temperature    101.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.257
_exptl_crystal_size_mid          0.207
_exptl_crystal_size_min          0.153
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912

_exptl_absorpt_coefficient_mu    0.217
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10. doi:10.1107/S1600576714022985
;
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_T_max  0.97

_exptl_special_details           
;
;

_diffrn_ambient_temperature      101.(2)

_diffrn_source                   'Mo ImS'
_diffrn_source_type              'micro focus tube'
_diffrn_source_power             0.05
_diffrn_source_current           1.0
_diffrn_source_voltage           50

_diffrn_radiation_probe          'single crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'MX mirror'

_diffrn_measurement_device       'Bruker D8 Venture Photon III'
_diffrn_measurement_device_type  'single crystal diffractometer'
_diffrn_measurement_method       'phi/omega scans'

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            54666
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0199
_diffrn_reflns_theta_min         2.28
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_full        25.24
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14

_refine_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_number_total             4409
_reflns_number_gt                3915
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0804
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_number_reflns         4409
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²+0.9989P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.219
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker APEX4 v2021.4-0 Photon III'
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1242)'
_computing_publication_material  'SHELXT 2018/2 (Sheldrick, 2018)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 -0.07909(2) 0.60591(2) 0.07121(3) 0.02939(9) Uani d . . . 1 . .
N N1 0.03761(9) 0.45686(8) 0.25968(10) 0.0258(2) Uani d . . . 1 . .
O O1 0.47077(7) 0.56776(6) 0.16609(7) 0.02172(19) Uani d . . . 1 . .
O O2 0.45785(7) 0.47014(6) 0.30933(8) 0.0249(2) Uani d . . . 1 . .
O O3 0.07287(9) 0.38272(7) 0.29450(10) 0.0388(3) Uani d . . . 1 . .
O O4 -0.04920(8) 0.48840(8) 0.27205(10) 0.0398(3) Uani d . . . 1 . .
C C1 0.61459(10) 0.67079(8) 0.25007(11) 0.0221(3) Uani d . . . 1 . .
H H1 0.575076 0.709679 0.181017 0.027000 Uiso calc U . R 1 . .
C C2 0.59052(10) 0.70521(8) 0.36846(11) 0.0211(2) Uani d . . . 1 . .
C C3 0.67157(11) 0.78251(9) 0.35955(14) 0.0297(3) Uani d . . . 1 . .
H H3A 0.637081 0.828991 0.300162 0.036000 Uiso calc U . R 1 . .
H H3B 0.714709 0.808139 0.437806 0.036000 Uiso calc U . R 1 . .
C C4 0.73405(11) 0.70849(9) 0.31119(12) 0.0271(3) Uani d . . . 1 . .
H H4 0.784840 0.724320 0.261322 0.032000 Uiso calc U . R 1 . .
C C5 0.77744(10) 0.64954(10) 0.42269(12) 0.0282(3) Uani d . . . 1 . .
H H5A 0.842129 0.676721 0.483244 0.034000 Uiso calc U . R 1 . .
H H5B 0.798543 0.589779 0.401548 0.034000 Uiso calc U . R 1 . .
C C6 0.66980(10) 0.64727(9) 0.46633(11) 0.0249(3) Uani d . . . 1 . .
H H6A 0.640388 0.586324 0.466407 0.030000 Uiso calc U . R 1 . .
H H6B 0.683599 0.673563 0.547454 0.030000 Uiso calc U . R 1 . .
C C7 0.59389(10) 0.57473(9) 0.21323(11) 0.0226(3) Uani d . . . 1 . .
H H7 0.622414 0.535241 0.284765 0.027000 Uiso calc U . R 1 . .
C C8 0.64257(12) 0.54684(11) 0.11324(14) 0.0350(3) Uani d . . . 1 . .
H H8A 0.620436 0.485636 0.089769 0.053000 Uiso calc U . R 1 . .
H H8B 0.724883 0.550907 0.141561 0.053000 Uiso calc U . R 1 . .
H H8C 0.613905 0.585949 0.043707 0.053000 Uiso calc U . R 1 . .
C C9 0.41513(10) 0.52006(8) 0.22727(10) 0.0187(2) Uani d . . . 1 . .
C C11 0.47134(10) 0.71780(8) 0.37153(11) 0.0201(2) Uani d . . . 1 . .
C C12 0.40039(11) 0.77995(8) 0.29254(11) 0.0232(3) Uani d . . . 1 . .
H H12 0.431489 0.818236 0.245531 0.028000 Uiso calc U . R 1 . .
C C13 0.28819(11) 0.78532(8) 0.28337(11) 0.0239(3) Uani d . . . 1 . .
H H13 0.242826 0.828006 0.231103 0.029000 Uiso calc U . R 1 . .
C C14 0.23843(10) 0.72826(8) 0.35057(11) 0.0211(2) Uani d . . . 1 . .
C C15 0.12051(10) 0.72666(9) 0.33483(12) 0.0249(3) Uani d . . . 1 . .
H H15 0.072474 0.765542 0.278440 0.030000 Uiso calc U . R 1 . .
C C16 0.07547(11) 0.66953(9) 0.40026(12) 0.0276(3) Uani d . . . 1 . .
H H16 -0.003539 0.668893 0.388589 0.033000 Uiso calc U . R 1 . .
C C17 0.14561(11) 0.61166(9) 0.48482(12) 0.0276(3) Uani d . . . 1 . .
H H17 0.113816 0.572938 0.530713 0.033000 Uiso calc U . R 1 . .
C C18 0.25971(11) 0.61114(8) 0.50099(11) 0.0238(3) Uani d . . . 1 . .
H H18 0.306247 0.571817 0.557978 0.029000 Uiso calc U . R 1 . .
C C19 0.30899(10) 0.66862(8) 0.43361(10) 0.0198(2) Uani d . . . 1 . .
C C20 0.42578(10) 0.66548(8) 0.44260(11) 0.0201(2) Uani d . . . 1 . .
H H20 0.473397 0.626347 0.498973 0.024000 Uiso calc U . R 1 . .
C C21 0.29119(10) 0.53746(8) 0.18207(10) 0.0179(2) Uani d . . . 1 . .
C C22 0.22049(10) 0.49094(8) 0.23372(10) 0.0186(2) Uani d . . . 1 . .
H H22 0.250301 0.446019 0.291456 0.022000 Uiso calc U . R 1 . .
C C23 0.10650(10) 0.51002(8) 0.20107(10) 0.0200(2) Uani d . . . 1 . .
C C24 0.06127(10) 0.57583(8) 0.11658(11) 0.0209(2) Uani d . . . 1 . .
C C25 0.13201(10) 0.61982(8) 0.06237(11) 0.0227(3) Uani d . . . 1 . .
H H25 0.101683 0.663135 0.002379 0.027000 Uiso calc U . R 1 . .
C C26 0.24620(10) 0.60141(8) 0.09457(11) 0.0207(2) Uani d . . . 1 . .
H H26 0.293813 0.632257 0.057159 0.025000 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cl1 C24 . 1.7278(12) ?
N1 O4 . 1.2233(15) ?
N1 O3 . 1.2270(15) ?
N1 C23 . 1.4742(15) ?
O1 C9 . 1.3352(14) ?
O1 C7 . 1.4698(14) ?
O2 C9 . 1.2101(15) ?
C1 C7 . 1.5129(18) ?
C1 C4 . 1.5542(17) ?
C1 C2 . 1.5762(17) ?
C1 H1 . 1.000000 ?
C2 C11 . 1.5014(16) ?
C2 C6 . 1.5417(17) ?
C2 C3 . 1.5632(17) ?
C3 C4 . 1.5544(19) ?
C3 H3A . 0.990000 ?
C3 H3B . 0.990000 ?
C4 C5 . 1.5342(19) ?
C4 H4 . 1.000000 ?
C5 C6 . 1.5595(17) ?
C5 H5A . 0.990000 ?
C5 H5B . 0.990000 ?
C6 H6A . 0.990000 ?
C6 H6B . 0.990000 ?
C7 C8 . 1.5146(17) ?
C7 H7 . 1.000000 ?
C8 H8A . 0.980000 ?
C8 H8B . 0.980000 ?
C8 H8C . 0.980000 ?
C9 C21 . 1.4973(16) ?
C11 C20 . 1.3760(17) ?
C11 C12 . 1.4244(17) ?
C12 C13 . 1.3674(17) ?
C12 H12 . 0.950000 ?
C13 C14 . 1.4177(18) ?
C13 H13 . 0.950000 ?
C14 C19 . 1.4206(17) ?
C14 C15 . 1.4211(17) ?
C15 C16 . 1.3706(19) ?
C15 H15 . 0.950000 ?
C16 C17 . 1.411(2) ?
C16 H16 . 0.950000 ?
C17 C18 . 1.3731(18) ?
C17 H17 . 0.950000 ?
C18 C19 . 1.4195(17) ?
C18 H18 . 0.950000 ?
C19 C20 . 1.4230(16) ?
C20 H20 . 0.950000 ?
C21 C22 . 1.3878(16) ?
C21 C26 . 1.3955(17) ?
C22 C23 . 1.3844(17) ?
C22 H22 . 0.950000 ?
C23 C24 . 1.3948(17) ?
C24 C25 . 1.3879(17) ?
C25 C26 . 1.3849(17) ?
C25 H25 . 0.950000 ?
C26 H26 . 0.950000 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O4 N1 O3 . . 123.95(11) ?
O4 N1 C23 . . 119.33(11) ?
O3 N1 C23 . . 116.71(11) ?
C9 O1 C7 . . 118.82(9) ?
C7 C1 C4 . . 122.79(11) ?
C7 C1 C2 . . 120.19(10) ?
C4 C1 C2 . . 82.95(9) ?
C7 C1 H1 . . 109.400000 ?
C4 C1 H1 . . 109.400000 ?
C2 C1 H1 . . 109.400000 ?
C11 C2 C6 . . 118.50(10) ?
C11 C2 C3 . . 124.32(11) ?
C6 C2 C3 . . 100.77(10) ?
C11 C2 C1 . . 119.90(10) ?
C6 C2 C1 . . 102.35(10) ?
C3 C2 C1 . . 84.31(9) ?
C4 C3 C2 . . 83.38(9) ?
C4 C3 H3A . . 114.700000 ?
C2 C3 H3A . . 114.700000 ?
C4 C3 H3B . . 114.700000 ?
C2 C3 H3B . . 114.700000 ?
H3A C3 H3B . . 111.800000 ?
C5 C4 C1 . . 103.20(10) ?
C5 C4 C3 . . 101.68(11) ?
C1 C4 C3 . . 85.34(9) ?
C5 C4 H4 . . 120.000000 ?
C1 C4 H4 . . 120.000000 ?
C3 C4 H4 . . 120.000000 ?
C4 C5 C6 . . 99.33(10) ?
C4 C5 H5A . . 111.900000 ?
C6 C5 H5A . . 111.900000 ?
C4 C5 H5B . . 111.900000 ?
C6 C5 H5B . . 111.900000 ?
H5A C5 H5B . . 109.600000 ?
C2 C6 C5 . . 99.91(10) ?
C2 C6 H6A . . 111.800000 ?
C5 C6 H6A . . 111.800000 ?
C2 C6 H6B . . 111.800000 ?
C5 C6 H6B . . 111.800000 ?
H6A C6 H6B . . 109.500000 ?
O1 C7 C1 . . 104.30(10) ?
O1 C7 C8 . . 107.25(10) ?
C1 C7 C8 . . 114.22(11) ?
O1 C7 H7 . . 110.300000 ?
C1 C7 H7 . . 110.300000 ?
C8 C7 H7 . . 110.300000 ?
C7 C8 H8A . . 109.500000 ?
C7 C8 H8B . . 109.500000 ?
H8A C8 H8B . . 109.500000 ?
C7 C8 H8C . . 109.500000 ?
H8A C8 H8C . . 109.500000 ?
H8B C8 H8C . . 109.500000 ?
O2 C9 O1 . . 125.34(11) ?
O2 C9 C21 . . 123.83(11) ?
O1 C9 C21 . . 110.82(10) ?
C20 C11 C12 . . 118.65(11) ?
C20 C11 C2 . . 121.30(11) ?
C12 C11 C2 . . 119.84(11) ?
C13 C12 C11 . . 120.99(11) ?
C13 C12 H12 . . 119.500000 ?
C11 C12 H12 . . 119.500000 ?
C12 C13 C14 . . 121.09(11) ?
C12 C13 H13 . . 119.500000 ?
C14 C13 H13 . . 119.500000 ?
C13 C14 C19 . . 118.52(11) ?
C13 C14 C15 . . 122.37(12) ?
C19 C14 C15 . . 119.07(11) ?
C16 C15 C14 . . 120.59(12) ?
C16 C15 H15 . . 119.700000 ?
C14 C15 H15 . . 119.700000 ?
C15 C16 C17 . . 120.47(12) ?
C15 C16 H16 . . 119.800000 ?
C17 C16 H16 . . 119.800000 ?
C18 C17 C16 . . 120.18(12) ?
C18 C17 H17 . . 119.900000 ?
C16 C17 H17 . . 119.900000 ?
C17 C18 C19 . . 120.83(12) ?
C17 C18 H18 . . 119.600000 ?
C19 C18 H18 . . 119.600000 ?
C18 C19 C14 . . 118.83(11) ?
C18 C19 C20 . . 122.06(11) ?
C14 C19 C20 . . 119.05(11) ?
C11 C20 C19 . . 121.52(11) ?
C11 C20 H20 . . 119.200000 ?
C19 C20 H20 . . 119.200000 ?
C22 C21 C26 . . 119.65(11) ?
C22 C21 C9 . . 118.24(10) ?
C26 C21 C9 . . 122.04(10) ?
C23 C22 C21 . . 119.98(11) ?
C23 C22 H22 . . 120.000000 ?
C21 C22 H22 . . 120.000000 ?
C22 C23 C24 . . 120.80(11) ?
C22 C23 N1 . . 116.30(11) ?
C24 C23 N1 . . 122.90(11) ?
C25 C24 C23 . . 118.75(11) ?
C25 C24 Cl1 . . 116.72(10) ?
C23 C24 Cl1 . . 124.51(9) ?
C26 C25 C24 . . 120.88(11) ?
C26 C25 H25 . . 119.600000 ?
C24 C25 H25 . . 119.600000 ?
C25 C26 C21 . . 119.86(11) ?
C25 C26 H26 . . 120.100000 ?
C21 C26 H26 . . 120.100000 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C7 C1 C2 C11 . . . . -73.68(15) ?
C4 C1 C2 C11 . . . . 162.30(11) ?
C7 C1 C2 C6 . . . . 59.90(13) ?
C4 C1 C2 C6 . . . . -64.11(10) ?
C7 C1 C2 C3 . . . . 159.71(11) ?
C4 C1 C2 C3 . . . . 35.70(9) ?
C11 C2 C3 C4 . . . . -158.24(12) ?
C6 C2 C3 C4 . . . . 65.88(10) ?
C1 C2 C3 C4 . . . . -35.66(9) ?
C7 C1 C4 C5 . . . . -56.48(15) ?
C2 C1 C4 C5 . . . . 65.06(10) ?
C7 C1 C4 C3 . . . . -157.41(12) ?
C2 C1 C4 C3 . . . . -35.86(9) ?
C2 C3 C4 C5 . . . . -66.36(10) ?
C2 C3 C4 C1 . . . . 36.17(9) ?
C1 C4 C5 C6 . . . . -44.10(12) ?
C3 C4 C5 C6 . . . . 43.80(12) ?
C11 C2 C6 C5 . . . . 176.98(11) ?
C3 C2 C6 C5 . . . . -43.88(12) ?
C1 C2 C6 C5 . . . . 42.59(11) ?
C4 C5 C6 C2 . . . . 0.31(12) ?
C9 O1 C7 C1 . . . . -112.09(11) ?
C9 O1 C7 C8 . . . . 126.41(12) ?
C4 C1 C7 O1 . . . . 177.05(10) ?
C2 C1 C7 O1 . . . . 75.16(13) ?
C4 C1 C7 C8 . . . . -66.18(16) ?
C2 C1 C7 C8 . . . . -168.08(11) ?
C7 O1 C9 O2 . . . . -12.12(17) ?
C7 O1 C9 C21 . . . . 166.98(9) ?
C6 C2 C11 C20 . . . . -13.46(17) ?
C3 C2 C11 C20 . . . . -142.37(13) ?
C1 C2 C11 C20 . . . . 112.92(13) ?
C6 C2 C11 C12 . . . . 171.74(11) ?
C3 C2 C11 C12 . . . . 42.83(18) ?
C1 C2 C11 C12 . . . . -61.88(15) ?
C20 C11 C12 C13 . . . . -2.69(18) ?
C2 C11 C12 C13 . . . . 172.25(11) ?
C11 C12 C13 C14 . . . . -1.08(19) ?
C12 C13 C14 C19 . . . . 3.78(18) ?
C12 C13 C14 C15 . . . . -174.08(12) ?
C13 C14 C15 C16 . . . . 178.99(12) ?
C19 C14 C15 C16 . . . . 1.14(18) ?
C14 C15 C16 C17 . . . . 0.33(19) ?
C15 C16 C17 C18 . . . . -1.00(19) ?
C16 C17 C18 C19 . . . . 0.18(19) ?
C17 C18 C19 C14 . . . . 1.28(18) ?
C17 C18 C19 C20 . . . . -175.75(11) ?
C13 C14 C19 C18 . . . . -179.85(11) ?
C15 C14 C19 C18 . . . . -1.91(17) ?
C13 C14 C19 C20 . . . . -2.73(17) ?
C15 C14 C19 C20 . . . . 175.20(11) ?
C12 C11 C20 C19 . . . . 3.71(18) ?
C2 C11 C20 C19 . . . . -171.15(11) ?
C18 C19 C20 C11 . . . . 176.01(11) ?
C14 C19 C20 C11 . . . . -1.01(17) ?
O2 C9 C21 C22 . . . . -2.83(17) ?
O1 C9 C21 C22 . . . . 178.05(10) ?
O2 C9 C21 C26 . . . . 174.11(12) ?
O1 C9 C21 C26 . . . . -5.01(15) ?
C26 C21 C22 C23 . . . . -2.01(17) ?
C9 C21 C22 C23 . . . . 175.00(10) ?
C21 C22 C23 C24 . . . . -0.08(18) ?
C21 C22 C23 N1 . . . . 179.51(10) ?
O4 N1 C23 C22 . . . . 152.96(12) ?
O3 N1 C23 C22 . . . . -26.31(16) ?
O4 N1 C23 C24 . . . . -27.46(18) ?
O3 N1 C23 C24 . . . . 153.27(12) ?
C22 C23 C24 C25 . . . . 2.31(18) ?
N1 C23 C24 C25 . . . . -177.26(11) ?
C22 C23 C24 Cl1 . . . . -179.02(9) ?
N1 C23 C24 Cl1 . . . . 1.42(17) ?
C23 C24 C25 C26 . . . . -2.46(18) ?
Cl1 C24 C25 C26 . . . . 178.76(10) ?
C24 C25 C26 C21 . . . . 0.41(18) ?
C22 C21 C26 C25 . . . . 1.85(18) ?
C9 C21 C26 C25 . . . . -175.04(11) ?

