# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_mo_20191230_0m_pl_pl
_database_code_depnum_ccdc_archive 'CCDC 2012608'
loop_
_audit_author_name
_audit_author_address
'jiaru wu'
;Jilin university
China
;
_audit_update_record             
;
2020-06-28 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2020-06-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H16 Cl N3 O3'
_chemical_formula_sum            'C27 H16 Cl N3 O3'
_chemical_formula_weight         465.88
_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 0.0033 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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.5954(5)
_cell_length_b                   14.4663(8)
_cell_length_c                   18.0480(10)
_cell_angle_alpha                90
_cell_angle_beta                 102.460(2)
_cell_angle_gamma                90
_cell_volume                     2191.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7930
_cell_measurement_temperature    190.15
_cell_measurement_theta_max      24.902
_cell_measurement_theta_min      2.312
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.994
_exptl_absorpt_coefficient_mu    0.211
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_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    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26816
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.311
_diffrn_ambient_temperature      190.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCDC Detect Area'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3073
_reflns_number_total             3867
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3867
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      1.049
_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)+(0.0351P)²+1.3109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1012
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
2.a Riding coordinates:
 N00M(H00A,H00B)
2.b Secondary CH2 refined with riding coordinates:
 C027(H02A,H02B)
2.c Aromatic/amide H refined with riding coordinates:
 C02B(H02C), C02M(H02M), C02N(H02N), C02Z(H02Z), C030(H030), C031(H031),
 C03A(H03A), C03C(H03C), C03F(H03F), C03G(H03G), C03I(H03I), C03S(H03S)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.50849(8) 0.09108(5) 0.26104(4) 0.0554(2) Uani 1 1 d . . . . .
O005 O 1.03694(15) 0.42448(9) 0.57515(8) 0.0304(3) Uani 1 1 d . . . . .
O00C O 1.17454(18) 0.16334(11) 0.44572(10) 0.0467(4) Uani 1 1 d . . . . .
O00F O 0.93719(18) 0.38109(10) 0.34347(8) 0.0372(4) Uani 1 1 d . . . . .
N00M N 0.8125(2) 0.49688(12) 0.57973(10) 0.0343(4) Uani 1 1 d . . . . .
H00A H 0.882289 0.542284 0.593435 0.041 Uiso 1 1 d R U . . .
H00B H 0.726819 0.519934 0.548895 0.041 Uiso 1 1 d R U . . .
N013 N 0.5012(2) 0.40123(14) 0.44161(11) 0.0425(5) Uani 1 1 d . . . . .
N00K N 0.75894(19) 0.26180(11) 0.32598(9) 0.0294(4) Uani 1 1 d . . . . .
C00X C 0.6344(2) 0.38538(14) 0.46282(12) 0.0297(5) Uani 1 1 d . . . . .
C014 C 0.5909(3) 0.35198(14) 0.22236(12) 0.0330(5) Uani 1 1 d . . . . .
C015 C 1.1145(2) 0.35335(13) 0.55019(11) 0.0264(4) Uani 1 1 d . . . . .
C01A C 0.7997(2) 0.36996(13) 0.49027(11) 0.0271(4) Uani 1 1 d . . . . .
C01E C 1.0522(2) 0.29190(13) 0.49704(11) 0.0267(4) Uani 1 1 d . . . . .
C01G C 0.8749(2) 0.42923(13) 0.54485(11) 0.0272(4) Uani 1 1 d . . . . .
C01H C 0.7952(2) 0.20292(13) 0.44659(11) 0.0270(4) Uani 1 1 d . . . . .
C01N C 1.3252(2) 0.25791(14) 0.54860(12) 0.0302(5) Uani 1 1 d . . . . .
C027 C 0.7131(3) 0.27646(15) 0.24370(11) 0.0328(5) Uani 1 1 d . . . . .
H02A H 0.669524 0.218147 0.218913 0.039 Uiso 1 1 calc R U . . .
H02B H 0.809169 0.292655 0.224479 0.039 Uiso 1 1 calc R U . . .
C02B C 1.3922(2) 0.38339(15) 0.63847(12) 0.0342(5) Uani 1 1 d . . . . .
H02C H 1.364098 0.438065 0.661659 0.041 Uiso 1 1 calc R U . . .
C02D C 1.2836(2) 0.33733(14) 0.58385(11) 0.0272(4) Uani 1 1 d . . . . .
C02E C 0.7160(2) 0.19012(13) 0.37086(12) 0.0279(4) Uani 1 1 d . . . . .
C02H C 0.8683(2) 0.31939(14) 0.36902(12) 0.0282(4) Uani 1 1 d . . . . .
C02L C 1.1818(2) 0.22697(14) 0.48994(12) 0.0314(5) Uani 1 1 d . . . . .
C02M C 0.4526(3) 0.35390(17) 0.24978(13) 0.0429(6) Uani 1 1 d . . . . .
H02M H 0.432697 0.306555 0.283023 0.051 Uiso 1 1 calc R U . . .
C02N C 0.7897(2) 0.13822(14) 0.50159(12) 0.0326(5) Uani 1 1 d . . . . .
H02N H 0.847000 0.147160 0.552306 0.039 Uiso 1 1 calc R U . . .
C02V C 0.6191(2) 0.11330(15) 0.35211(13) 0.0341(5) Uani 1 1 d . . . . .
C02X C 0.8835(2) 0.29444(13) 0.45345(11) 0.0269(4) Uani 1 1 d . . . . .
C02Z C 1.5456(3) 0.34626(17) 0.65840(13) 0.0407(6) Uani 1 1 d . . . . .
H02Z H 1.623717 0.376360 0.695923 0.049 Uiso 1 1 calc R U . . .
C030 C 0.6111(3) 0.04878(15) 0.40803(13) 0.0369(5) Uani 1 1 d . . . . .
H030 H 0.543999 -0.003650 0.395479 0.044 Uiso 1 1 calc R U . . .
C031 C 1.4755(2) 0.22148(15) 0.56893(14) 0.0385(5) Uani 1 1 d . . . . .
H031 H 1.503474 0.166854 0.545653 0.046 Uiso 1 1 calc R U . . .
C03A C 1.5859(3) 0.26709(17) 0.62482(14) 0.0437(6) Uani 1 1 d . . . . .
H03A H 1.690834 0.243074 0.639979 0.052 Uiso 1 1 calc R U . . .
C03C C 0.6975(3) 0.05869(15) 0.48110(13) 0.0366(5) Uani 1 1 d . . . . .
H03C H 0.694700 0.011748 0.517600 0.044 Uiso 1 1 calc R U . . .
C03F C 0.3425(3) 0.42472(18) 0.22900(14) 0.0489(6) Uani 1 1 d . . . . .
H03F H 0.247998 0.425770 0.248248 0.059 Uiso 1 1 calc R U . . .
C03G C 0.6171(3) 0.42171(16) 0.17406(14) 0.0439(6) Uani 1 1 d . . . . .
H03G H 0.711835 0.421303 0.154980 0.053 Uiso 1 1 calc R U . . .
C03I C 0.3701(3) 0.49325(17) 0.18063(14) 0.0476(6) Uani 1 1 d . . . . .
H03I H 0.294365 0.541350 0.166272 0.057 Uiso 1 1 calc R U . . .
C03S C 0.5071(3) 0.49225(17) 0.15306(15) 0.0508(6) Uani 1 1 d . . . . .
H03S H 0.526345 0.539660 0.119748 0.061 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
Cl1 C02V 1.742(2) . ?
O005 C015 1.355(2) . ?
O005 C01G 1.384(2) . ?
O00C C02L 1.211(2) . ?
O00F C02H 1.215(2) . ?
N00M H00A 0.8879 . ?
N00M H00B 0.8868 . ?
N00M C01G 1.337(3) . ?
N013 C00X 1.149(3) . ?
N00K C027 1.467(3) . ?
N00K C02E 1.413(3) . ?
N00K C02H 1.366(3) . ?
C00X C01A 1.418(3) . ?
C014 C027 1.507(3) . ?
C014 C02M 1.383(3) . ?
C014 C03G 1.383(3) . ?
C015 C01E 1.333(3) . ?
C015 C02D 1.468(3) . ?
C01A C01G 1.359(3) . ?
C01A C02X 1.536(3) . ?
C01E C02L 1.484(3) . ?
C01E C02X 1.494(3) . ?
C01H C02E 1.402(3) . ?
C01H C02N 1.373(3) . ?
C01H C02X 1.518(3) . ?
C01N C02D 1.396(3) . ?
C01N C02L 1.509(3) . ?
C01N C031 1.370(3) . ?
C027 H02A 0.9900 . ?
C027 H02B 0.9900 . ?
C02B H02C 0.9500 . ?
C02B C02D 1.375(3) . ?
C02B C02Z 1.398(3) . ?
C02E C02V 1.386(3) . ?
C02H C02X 1.544(3) . ?
C02M H02M 0.9500 . ?
C02M C03F 1.390(3) . ?
C02N H02N 0.9500 . ?
C02N C03C 1.401(3) . ?
C02V C030 1.387(3) . ?
C02Z H02Z 0.9500 . ?
C02Z C03A 1.375(3) . ?
C030 H030 0.9500 . ?
C030 C03C 1.374(3) . ?
C031 H031 0.9500 . ?
C031 C03A 1.393(3) . ?
C03A H03A 0.9500 . ?
C03C H03C 0.9500 . ?
C03F H03F 0.9500 . ?
C03F C03I 1.375(4) . ?
C03G H03G 0.9500 . ?
C03G C03S 1.387(3) . ?
C03I H03I 0.9500 . ?
C03I C03S 1.373(4) . ?
C03S H03S 0.9500 . ?

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
C015 O005 C01G 115.59(15) . . ?
H00A N00M H00B 108.4 . . ?
C01G N00M H00A 110.9 . . ?
C01G N00M H00B 110.0 . . ?
C02E N00K C027 129.79(16) . . ?
C02H N00K C027 119.25(17) . . ?
C02H N00K C02E 110.77(16) . . ?
N013 C00X C01A 177.4(2) . . ?
C02M C014 C027 121.9(2) . . ?
C03G C014 C027 119.4(2) . . ?
C03G C014 C02M 118.7(2) . . ?
O005 C015 C02D 119.79(17) . . ?
C01E C015 O005 126.57(18) . . ?
C01E C015 C02D 113.63(17) . . ?
C00X C01A C02X 119.26(17) . . ?
C01G C01A C00X 115.94(18) . . ?
C01G C01A C02X 124.62(17) . . ?
C015 C01E C02L 106.97(17) . . ?
C015 C01E C02X 123.81(17) . . ?
C02L C01E C02X 129.19(17) . . ?
N00M C01G O005 108.78(16) . . ?
N00M C01G C01A 128.82(18) . . ?
C01A C01G O005 122.37(17) . . ?
C02E C01H C02X 108.90(17) . . ?
C02N C01H C02E 122.00(19) . . ?
C02N C01H C02X 129.08(19) . . ?
C02D C01N C02L 108.27(17) . . ?
C031 C01N C02D 120.9(2) . . ?
C031 C01N C02L 130.8(2) . . ?
N00K C027 C014 112.55(17) . . ?
N00K C027 H02A 109.1 . . ?
N00K C027 H02B 109.1 . . ?
C014 C027 H02A 109.1 . . ?
C014 C027 H02B 109.1 . . ?
H02A C027 H02B 107.8 . . ?
C02D C02B H02C 121.5 . . ?
C02D C02B C02Z 117.1(2) . . ?
C02Z C02B H02C 121.5 . . ?
C01N C02D C015 105.61(17) . . ?
C02B C02D C015 132.73(19) . . ?
C02B C02D C01N 121.66(19) . . ?
C01H C02E N00K 109.27(17) . . ?
C02V C02E N00K 131.76(19) . . ?
C02V C02E C01H 118.93(19) . . ?
O00F C02H N00K 124.33(19) . . ?
O00F C02H C02X 127.00(18) . . ?
N00K C02H C02X 108.64(17) . . ?
O00C C02L C01E 127.23(19) . . ?
O00C C02L C01N 127.32(19) . . ?
C01E C02L C01N 105.44(17) . . ?
C014 C02M H02M 119.8 . . ?
C014 C02M C03F 120.4(2) . . ?
C03F C02M H02M 119.8 . . ?
C01H C02N H02N 120.8 . . ?
C01H C02N C03C 118.4(2) . . ?
C03C C02N H02N 120.8 . . ?
C02E C02V Cl1 123.72(17) . . ?
C02E C02V C030 118.9(2) . . ?
C030 C02V Cl1 117.35(16) . . ?
C01A C02X C02H 108.24(16) . . ?
C01E C02X C01A 106.39(16) . . ?
C01E C02X C01H 115.66(16) . . ?
C01E C02X C02H 113.02(16) . . ?
C01H C02X C01A 112.51(16) . . ?
C01H C02X C02H 100.90(16) . . ?
C02B C02Z H02Z 119.3 . . ?
C03A C02Z C02B 121.3(2) . . ?
C03A C02Z H02Z 119.3 . . ?
C02V C030 H030 119.1 . . ?
C03C C030 C02V 121.8(2) . . ?
C03C C030 H030 119.1 . . ?
C01N C031 H031 121.1 . . ?
C01N C031 C03A 117.9(2) . . ?
C03A C031 H031 121.1 . . ?
C02Z C03A C031 121.1(2) . . ?
C02Z C03A H03A 119.4 . . ?
C031 C03A H03A 119.4 . . ?
C02N C03C H03C 120.1 . . ?
C030 C03C C02N 119.8(2) . . ?
C030 C03C H03C 120.1 . . ?
C02M C03F H03F 119.9 . . ?
C03I C03F C02M 120.1(2) . . ?
C03I C03F H03F 119.9 . . ?
C014 C03G H03G 119.5 . . ?
C014 C03G C03S 121.0(2) . . ?
C03S C03G H03G 119.5 . . ?
C03F C03I H03I 120.0 . . ?
C03S C03I C03F 120.1(2) . . ?
C03S C03I H03I 120.0 . . ?
C03G C03S H03S 120.1 . . ?
C03I C03S C03G 119.7(2) . . ?
C03I C03S H03S 120.1 . . ?

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
Cl1 C02V C030 C03C 178.09(17) . . . . ?
O005 C015 C01E C02L -179.26(18) . . . . ?
O005 C015 C01E C02X 2.5(3) . . . . ?
O005 C015 C02D C01N 177.50(17) . . . . ?
O005 C015 C02D C02B -2.1(3) . . . . ?
O00F C02H C02X C01A 72.0(2) . . . . ?
O00F C02H C02X C01E -45.6(3) . . . . ?
O00F C02H C02X C01H -169.71(19) . . . . ?
N00K C02E C02V Cl1 -5.0(3) . . . . ?
N00K C02E C02V C030 173.6(2) . . . . ?
N00K C02H C02X C01A -106.13(18) . . . . ?
N00K C02H C02X C01E 136.29(17) . . . . ?
N00K C02H C02X C01H 12.2(2) . . . . ?
C00X C01A C01G O005 -177.83(18) . . . . ?
C00X C01A C01G N00M 4.5(3) . . . . ?
C00X C01A C02X C01E -177.07(18) . . . . ?
C00X C01A C02X C01H -49.4(2) . . . . ?
C00X C01A C02X C02H 61.2(2) . . . . ?
C014 C02M C03F C03I 0.3(4) . . . . ?
C014 C03G C03S C03I 0.2(4) . . . . ?
C015 O005 C01G N00M 174.22(16) . . . . ?
C015 O005 C01G C01A -3.8(3) . . . . ?
C015 C01E C02L O00C -177.1(2) . . . . ?
C015 C01E C02L C01N 2.1(2) . . . . ?
C015 C01E C02X C01A -7.8(3) . . . . ?
C015 C01E C02X C01H -133.5(2) . . . . ?
C015 C01E C02X C02H 110.9(2) . . . . ?
C01E C015 C02D C01N -1.3(2) . . . . ?
C01E C015 C02D C02B 179.1(2) . . . . ?
C01G O005 C015 C01E 4.1(3) . . . . ?
C01G O005 C015 C02D -174.54(17) . . . . ?
C01G C01A C02X C01E 7.9(3) . . . . ?
C01G C01A C02X C01H 135.6(2) . . . . ?
C01G C01A C02X C02H -113.8(2) . . . . ?
C01H C02E C02V Cl1 177.66(15) . . . . ?
C01H C02E C02V C030 -3.7(3) . . . . ?
C01H C02N C03C C030 -2.3(3) . . . . ?
C01N C031 C03A C02Z -0.2(4) . . . . ?
C027 N00K C02E C01H 177.19(18) . . . . ?
C027 N00K C02E C02V -0.4(3) . . . . ?
C027 N00K C02H O00F -3.2(3) . . . . ?
C027 N00K C02H C02X 175.02(16) . . . . ?
C027 C014 C02M C03F 179.9(2) . . . . ?
C027 C014 C03G C03S 179.9(2) . . . . ?
C02B C02Z C03A C031 0.8(4) . . . . ?
C02D C015 C01E C02L -0.6(2) . . . . ?
C02D C015 C01E C02X -178.80(18) . . . . ?
C02D C01N C02L O00C 176.2(2) . . . . ?
C02D C01N C02L C01E -2.9(2) . . . . ?
C02D C01N C031 C03A -1.1(3) . . . . ?
C02D C02B C02Z C03A -0.1(3) . . . . ?
C02E N00K C027 C014 104.6(2) . . . . ?
C02E N00K C02H O00F 172.32(19) . . . . ?
C02E N00K C02H C02X -9.5(2) . . . . ?
C02E C01H C02N C03C -2.1(3) . . . . ?
C02E C01H C02X C01A 104.39(19) . . . . ?
C02E C01H C02X C01E -133.06(18) . . . . ?
C02E C01H C02X C02H -10.76(19) . . . . ?
C02E C02V C030 C03C -0.6(3) . . . . ?
C02H N00K C027 C014 -80.9(2) . . . . ?
C02H N00K C02E C01H 2.3(2) . . . . ?
C02H N00K C02E C02V -175.2(2) . . . . ?
C02L C01E C02X C01A 174.40(19) . . . . ?
C02L C01E C02X C01H 48.7(3) . . . . ?
C02L C01E C02X C02H -66.9(3) . . . . ?
C02L C01N C02D C015 2.5(2) . . . . ?
C02L C01N C02D C02B -177.84(19) . . . . ?
C02L C01N C031 C03A 178.5(2) . . . . ?
C02M C014 C027 N00K -50.5(3) . . . . ?
C02M C014 C03G C03S -0.2(3) . . . . ?
C02M C03F C03I C03S -0.4(4) . . . . ?
C02N C01H C02E N00K -172.75(18) . . . . ?
C02N C01H C02E C02V 5.2(3) . . . . ?
C02N C01H C02X C01A -77.0(3) . . . . ?
C02N C01H C02X C01E 45.6(3) . . . . ?
C02N C01H C02X C02H 167.89(19) . . . . ?
C02V C030 C03C C02N 3.7(3) . . . . ?
C02X C01A C01G O005 -2.7(3) . . . . ?
C02X C01A C01G N00M 179.7(2) . . . . ?
C02X C01E C02L O00C 1.0(4) . . . . ?
C02X C01E C02L C01N -179.83(19) . . . . ?
C02X C01H C02E N00K 6.0(2) . . . . ?
C02X C01H C02E C02V -176.08(17) . . . . ?
C02X C01H C02N C03C 179.42(19) . . . . ?
C02Z C02B C02D C015 178.3(2) . . . . ?
C02Z C02B C02D C01N -1.2(3) . . . . ?
C031 C01N C02D C015 -177.79(19) . . . . ?
C031 C01N C02D C02B 1.9(3) . . . . ?
C031 C01N C02L O00C -3.4(4) . . . . ?
C031 C01N C02L C01E 177.5(2) . . . . ?
C03F C03I C03S C03G 0.2(4) . . . . ?
C03G C014 C027 N00K 129.4(2) . . . . ?
C03G C014 C02M C03F 0.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
