# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_hqf-gxm-ii-154
_audit_block_doi                 10.5517/ccdc.csd.cc24ng8k
_database_code_depnum_ccdc_archive 'CCDC 1985868'
loop_
_audit_author_name
_audit_author_address
'Yuan Y'
;Fujian normal University
China
;
_audit_update_record             
;
2020-02-24 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;
_audit_creation_date             2017-12-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C20 H16 Cl N O5'
_chemical_formula_sum            'C20 H16 Cl N O5'
_chemical_formula_weight         385.79
_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      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                   11.4022(2)
_cell_length_b                   8.74662(16)
_cell_length_c                   17.8884(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.315(2)
_cell_angle_gamma                90
_cell_volume                     1728.63(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5421
_cell_measurement_temperature    294.59(10)
_cell_measurement_theta_max      73.8860
_cell_measurement_theta_min      3.9790
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.254
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             800
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10033
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.782
_diffrn_reflns_theta_min         4.001
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.59(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5148
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -50.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.4499   38.0000  -90.0000 83

#__ type_ start__ end____ width___ exp.time_
  2 omega -115.00  -13.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.4499  -57.0000  120.0000 102

#__ type_ start__ end____ width___ exp.time_
  3 omega   23.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.4499 -125.0000 -120.0000 74

#__ type_ start__ end____ width___ exp.time_
  4 omega   30.00   91.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615  -30.0000 -180.0000 61

#__ type_ start__ end____ width___ exp.time_
  5 omega   25.00  159.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615  -15.0000    0.0000 134

#__ type_ start__ end____ width___ exp.time_
  6 omega   33.00  121.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615 -125.0000  -90.0000 88

#__ type_ start__ end____ width___ exp.time_
  7 omega   24.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615  -94.0000  120.0000 85

#__ type_ start__ end____ width___ exp.time_
  8 omega   33.00  121.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615 -125.0000   30.0000 88

#__ type_ start__ end____ width___ exp.time_
  9 omega   18.00  178.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      106.3615    0.0000 -120.0000 160

#__ type_ start__ end____ width___ exp.time_
 10 omega -118.00   -9.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.4499  -77.0000  -90.0000 109
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.1357787000
_diffrn_orient_matrix_UB_12      -0.0200860000
_diffrn_orient_matrix_UB_13      -0.0043560000
_diffrn_orient_matrix_UB_21      -0.0317735000
_diffrn_orient_matrix_UB_22      0.0702086000
_diffrn_orient_matrix_UB_23      -0.0815298000
_diffrn_orient_matrix_UB_31      0.0030305000
_diffrn_orient_matrix_UB_32      -0.1601916000
_diffrn_orient_matrix_UB_33      -0.0352062000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2998
_reflns_number_total             3424
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.244
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.092
_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     254
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0390
_refine_ls_restrained_S_all      1.073
_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)+(0.0613P)²+0.3877P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1062
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C2(H2), C16(H16), C1(H1A), C19(H19), C17(H17), C18(H18)
2.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.38175(4) 0.37078(5) 0.01549(3) 0.05556(16) Uani 1 1 d . . . . .
O4 O 0.01813(9) -0.35693(12) -0.09781(7) 0.0392(3) Uani 1 1 d . . . . .
O2 O 0.32506(10) -0.27812(15) -0.10097(7) 0.0440(3) Uani 1 1 d . . . . .
O5 O -0.06939(10) -0.12612(13) -0.10839(8) 0.0467(3) Uani 1 1 d . . . . .
C5 C 0.26233(13) 0.10192(16) -0.03075(8) 0.0301(3) Uani 1 1 d . . . . .
C9 C 0.31310(13) -0.13109(16) 0.05005(8) 0.0299(3) Uani 1 1 d . . . . .
N1 N 0.45127(12) 0.05519(16) 0.07891(7) 0.0349(3) Uani 1 1 d . . . . .
O3 O 0.16220(10) -0.23706(15) -0.19739(6) 0.0426(3) Uani 1 1 d . . . . .
C13 C 0.01929(12) -0.20437(17) -0.09646(8) 0.0317(3) Uani 1 1 d . . . . .
C6 C 0.16824(12) 0.02161(16) -0.08279(8) 0.0296(3) Uani 1 1 d . . . . .
C10 C 0.34026(12) 0.01456(16) 0.03184(8) 0.0304(3) Uani 1 1 d . . . . .
C8 C 0.19880(12) -0.20852(16) 0.01148(8) 0.0293(3) Uani 1 1 d . . . . .
H8 H 0.2158 -0.3181 0.0096 0.035 Uiso 1 1 calc R . . . .
C3 C 0.19748(16) 0.33235(18) -0.10696(11) 0.0437(4) Uani 1 1 d . . . . .
H3 H 0.2061 0.4367 -0.1140 0.052 Uiso 1 1 calc R . . . .
C4 C 0.27247(14) 0.25821(18) -0.04463(9) 0.0364(3) Uani 1 1 d . . . . .
C2 C 0.11033(15) 0.2507(2) -0.15821(10) 0.0438(4) Uani 1 1 d . . . . .
H2 H 0.0610 0.2993 -0.2008 0.053 Uiso 1 1 calc R . . . .
C11 C 0.22460(12) -0.23096(16) -0.12377(8) 0.0291(3) Uani 1 1 d . . . . .
C7 C 0.15213(12) -0.15108(16) -0.07320(8) 0.0276(3) Uani 1 1 d . . . . .
C16 C 0.43377(14) -0.32287(19) 0.15182(9) 0.0372(3) Uani 1 1 d . . . . .
H16 H 0.3790 -0.4035 0.1412 0.045 Uiso 1 1 calc R . . . .
C15 C 0.41020(13) -0.18550(17) 0.11058(8) 0.0312(3) Uani 1 1 d . . . . .
C20 C 0.49522(13) -0.06537(18) 0.12706(8) 0.0333(3) Uani 1 1 d . . . . .
C1 C 0.09605(14) 0.09608(18) -0.14644(9) 0.0364(3) Uani 1 1 d . . . . .
H1A H 0.0374 0.0412 -0.1816 0.044 Uiso 1 1 calc R . . . .
C19 C 0.60264(14) -0.0793(2) 0.18509(9) 0.0422(4) Uani 1 1 d . . . . .
H19 H 0.6582 0.0005 0.1964 0.051 Uiso 1 1 calc R . . . .
C17 C 0.54008(15) -0.3358(2) 0.20849(10) 0.0452(4) Uani 1 1 d . . . . .
H17 H 0.5569 -0.4264 0.2363 0.054 Uiso 1 1 calc R . . . .
C18 C 0.62279(15) -0.2156(2) 0.22477(10) 0.0477(4) Uani 1 1 d . . . . .
H18 H 0.6935 -0.2277 0.2635 0.057 Uiso 1 1 calc R . . . .
C12 C 0.22228(17) -0.3131(2) -0.24981(10) 0.0515(5) Uani 1 1 d . . . . .
H12A H 0.1812 -0.2889 -0.3021 0.077 Uiso 1 1 calc GR . . . .
H12B H 0.2206 -0.4216 -0.2423 0.077 Uiso 1 1 calc GR . . . .
H12C H 0.3047 -0.2790 -0.2397 0.077 Uiso 1 1 calc GR . . . .
C14 C -0.09769(16) -0.4303(2) -0.10838(15) 0.0605(5) Uani 1 1 d . . . . .
H14A H -0.1436 -0.4165 -0.1607 0.091 Uiso 1 1 calc GR . . . .
H14B H -0.1407 -0.3859 -0.0739 0.091 Uiso 1 1 calc GR . . . .
H14C H -0.0861 -0.5376 -0.0976 0.091 Uiso 1 1 calc GR . . . .
O1 O 0.10580(10) -0.18987(14) 0.05195(6) 0.0391(3) Uani 1 1 d . . . . .
H1 H 0.488(2) 0.140(3) 0.0750(13) 0.059(6) Uiso 1 1 d . . . . .
H1B H 0.1040(19) -0.097(3) 0.0652(12) 0.055(6) 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 C4 1.7367(16) . ?
O4 C13 1.3346(18) . ?
O4 C14 1.4381(19) . ?
O2 C11 1.1906(18) . ?
O5 C13 1.1957(18) . ?
C5 C6 1.4202(19) . ?
C5 C10 1.461(2) . ?
C5 C4 1.399(2) . ?
C9 C10 1.369(2) . ?
C9 C8 1.4794(19) . ?
C9 C15 1.4254(19) . ?
N1 C10 1.3821(18) . ?
N1 C20 1.375(2) . ?
N1 H1 0.86(2) . ?
O3 C11 1.3342(17) . ?
O3 C12 1.452(2) . ?
C13 C7 1.5405(18) . ?
C6 C7 1.5362(19) . ?
C6 C1 1.391(2) . ?
C8 H8 0.9800 . ?
C8 C7 1.5594(19) . ?
C8 O1 1.4334(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.387(2) . ?
C3 C2 1.374(2) . ?
C2 H2 0.9300 . ?
C2 C1 1.385(2) . ?
C11 C7 1.5359(19) . ?
C16 H16 0.9300 . ?
C16 C15 1.401(2) . ?
C16 C17 1.379(2) . ?
C15 C20 1.410(2) . ?
C20 C19 1.401(2) . ?
C1 H1A 0.9300 . ?
C19 H19 0.9300 . ?
C19 C18 1.377(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.394(3) . ?
C18 H18 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
O1 H1B 0.85(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
C13 O4 C14 116.96(13) . . ?
C6 C5 C10 117.46(13) . . ?
C4 C5 C6 116.69(13) . . ?
C4 C5 C10 125.84(13) . . ?
C10 C9 C8 122.68(13) . . ?
C10 C9 C15 108.21(12) . . ?
C15 C9 C8 129.10(13) . . ?
C10 N1 H1 124.0(15) . . ?
C20 N1 C10 108.75(12) . . ?
C20 N1 H1 127.0(15) . . ?
C11 O3 C12 115.73(12) . . ?
O4 C13 C7 108.19(12) . . ?
O5 C13 O4 124.40(13) . . ?
O5 C13 C7 127.35(13) . . ?
C5 C6 C7 120.33(12) . . ?
C1 C6 C5 120.20(13) . . ?
C1 C6 C7 119.27(13) . . ?
C9 C10 C5 122.57(13) . . ?
C9 C10 N1 108.74(13) . . ?
N1 C10 C5 128.62(13) . . ?
C9 C8 H8 107.8 . . ?
C9 C8 C7 110.81(11) . . ?
C7 C8 H8 107.8 . . ?
O1 C8 C9 112.88(11) . . ?
O1 C8 H8 107.8 . . ?
O1 C8 C7 109.67(11) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.60(15) . . ?
C5 C4 Cl1 121.47(12) . . ?
C3 C4 Cl1 115.99(12) . . ?
C3 C4 C5 122.54(14) . . ?
C3 C2 H2 120.0 . . ?
C3 C2 C1 119.93(15) . . ?
C1 C2 H2 120.0 . . ?
O2 C11 O3 123.88(13) . . ?
O2 C11 C7 124.61(13) . . ?
O3 C11 C7 111.48(12) . . ?
C13 C7 C8 103.98(11) . . ?
C6 C7 C13 113.83(11) . . ?
C6 C7 C8 113.81(11) . . ?
C11 C7 C13 109.85(11) . . ?
C11 C7 C6 106.55(11) . . ?
C11 C7 C8 108.75(11) . . ?
C15 C16 H16 120.8 . . ?
C17 C16 H16 120.8 . . ?
C17 C16 C15 118.48(15) . . ?
C16 C15 C9 134.29(14) . . ?
C16 C15 C20 119.77(13) . . ?
C20 C15 C9 105.94(13) . . ?
N1 C20 C15 108.37(13) . . ?
N1 C20 C19 130.30(15) . . ?
C19 C20 C15 121.32(15) . . ?
C6 C1 H1A 119.5 . . ?
C2 C1 C6 120.93(15) . . ?
C2 C1 H1A 119.5 . . ?
C20 C19 H19 121.3 . . ?
C18 C19 C20 117.43(15) . . ?
C18 C19 H19 121.3 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.17(16) . . ?
C18 C17 H17 119.4 . . ?
C19 C18 C17 121.81(15) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
O3 C12 H12A 109.5 . . ?
O3 C12 H12B 109.5 . . ?
O3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 O1 H1B 108.8(14) . . ?

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
O4 C13 C7 C6 170.00(12) . . . . ?
O4 C13 C7 C8 -65.62(14) . . . . ?
O4 C13 C7 C11 50.62(15) . . . . ?
O2 C11 C7 C13 -140.03(15) . . . . ?
O2 C11 C7 C6 96.23(16) . . . . ?
O2 C11 C7 C8 -26.84(19) . . . . ?
O5 C13 C7 C6 -13.0(2) . . . . ?
O5 C13 C7 C8 111.41(17) . . . . ?
O5 C13 C7 C11 -132.35(16) . . . . ?
C5 C6 C7 C13 146.14(13) . . . . ?
C5 C6 C7 C8 27.23(18) . . . . ?
C5 C6 C7 C11 -92.62(15) . . . . ?
C5 C6 C1 C2 -3.2(2) . . . . ?
C9 C8 C7 C13 -164.17(11) . . . . ?
C9 C8 C7 C6 -39.77(16) . . . . ?
C9 C8 C7 C11 78.83(14) . . . . ?
C9 C15 C20 N1 0.07(16) . . . . ?
C9 C15 C20 C19 179.20(14) . . . . ?
N1 C20 C19 C18 179.74(16) . . . . ?
O3 C11 C7 C13 41.86(16) . . . . ?
O3 C11 C7 C6 -81.89(14) . . . . ?
O3 C11 C7 C8 155.04(12) . . . . ?
C6 C5 C10 C9 -12.0(2) . . . . ?
C6 C5 C10 N1 164.54(14) . . . . ?
C6 C5 C4 Cl1 178.83(11) . . . . ?
C6 C5 C4 C3 -1.7(2) . . . . ?
C10 C5 C6 C7 -0.97(19) . . . . ?
C10 C5 C6 C1 -175.80(13) . . . . ?
C10 C5 C4 Cl1 -1.7(2) . . . . ?
C10 C5 C4 C3 177.73(15) . . . . ?
C10 C9 C8 C7 30.24(18) . . . . ?
C10 C9 C8 O1 -93.21(16) . . . . ?
C10 C9 C15 C16 -179.53(16) . . . . ?
C10 C9 C15 C20 0.09(16) . . . . ?
C10 N1 C20 C15 -0.20(16) . . . . ?
C10 N1 C20 C19 -179.23(15) . . . . ?
C8 C9 C10 C5 -4.2(2) . . . . ?
C8 C9 C10 N1 178.60(13) . . . . ?
C8 C9 C15 C16 1.8(3) . . . . ?
C8 C9 C15 C20 -178.62(14) . . . . ?
C3 C2 C1 C6 0.6(3) . . . . ?
C4 C5 C6 C7 178.55(12) . . . . ?
C4 C5 C6 C1 3.7(2) . . . . ?
C4 C5 C10 C9 168.49(14) . . . . ?
C4 C5 C10 N1 -14.9(2) . . . . ?
C4 C3 C2 C1 1.5(3) . . . . ?
C2 C3 C4 Cl1 178.63(14) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C7 C6 C1 C2 -178.12(14) . . . . ?
C16 C15 C20 N1 179.75(13) . . . . ?
C16 C15 C20 C19 -1.1(2) . . . . ?
C16 C17 C18 C19 -0.3(3) . . . . ?
C15 C9 C10 C5 176.97(13) . . . . ?
C15 C9 C10 N1 -0.21(16) . . . . ?
C15 C9 C8 C7 -151.22(14) . . . . ?
C15 C9 C8 O1 85.34(18) . . . . ?
C15 C16 C17 C18 0.0(2) . . . . ?
C15 C20 C19 C18 0.8(2) . . . . ?
C20 N1 C10 C5 -176.70(14) . . . . ?
C20 N1 C10 C9 0.26(16) . . . . ?
C20 C19 C18 C17 -0.1(3) . . . . ?
C1 C6 C7 C13 -38.98(18) . . . . ?
C1 C6 C7 C8 -157.90(13) . . . . ?
C1 C6 C7 C11 82.25(15) . . . . ?
C17 C16 C15 C9 -179.74(16) . . . . ?
C17 C16 C15 C20 0.7(2) . . . . ?
C12 O3 C11 O2 2.9(2) . . . . ?
C12 O3 C11 C7 -178.96(13) . . . . ?
C14 O4 C13 O5 -5.1(2) . . . . ?
C14 O4 C13 C7 172.05(15) . . . . ?
O1 C8 C7 C13 -38.90(14) . . . . ?
O1 C8 C7 C6 85.50(14) . . . . ?
O1 C8 C7 C11 -155.90(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
