# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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. 
# 
#######################################################################

data_zhp035
_database_code_depnum_ccdc_archive 'CCDC 2331713'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2024-02-08 deposited with the CCDC.	2024-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H24 N2 O6, C H Cl3'
_chemical_formula_sum            'C30 H25 Cl3 N2 O6'
_chemical_formula_weight         615.87

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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.4395(2)
_cell_length_b                   17.2117(4)
_cell_length_c                   18.1895(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2955.25(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9892
_cell_measurement_theta_min      3.54
_cell_measurement_theta_max      68.23

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_F_000             1272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.577
_exptl_crystal_size_mid          0.244
_exptl_crystal_size_min          0.194
_exptl_absorpt_coefficient_mu    3.195
_shelx_estimated_absorpt_T_min   0.260
_shelx_estimated_absorpt_T_max   0.576
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4746
_exptl_absorpt_correction_T_max  0.9444
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18447
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.535
_diffrn_reflns_theta_max         68.241
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             5364
_reflns_number_gt                5204
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.753
_reflns_Friedel_fraction_max     0.978
_reflns_Friedel_fraction_full    0.978

_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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0554P)²+0.5502P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2166 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.039(4)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5364
_refine_ls_number_parameters     379
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0905
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.6393(2) 0.86173(10) 0.68950(10) 0.0288(4) Uani 1 1 d . . . . .
O2 O 0.5325(2) 0.91078(11) 0.58944(12) 0.0364(5) Uani 1 1 d . . . . .
O3 O 0.6087(2) 0.77178(11) 0.52313(10) 0.0291(4) Uani 1 1 d . . . . .
O4 O 0.89127(18) 0.67147(11) 0.62930(11) 0.0289(4) Uani 1 1 d . . . . .
O5 O 0.7819(2) 0.48081(12) 0.60291(11) 0.0341(4) Uani 1 1 d . . . . .
O6 O 0.7203(3) 0.45097(12) 0.71793(11) 0.0432(6) Uani 1 1 d . . . . .
N1 N 0.1897(2) 0.70988(13) 0.64553(12) 0.0243(4) Uani 1 1 d D . . . .
H1N H 0.103(3) 0.709(2) 0.626(2) 0.041(10) Uiso 1 1 d D . . . .
N2 N 0.8144(2) 0.62917(12) 0.51600(12) 0.0250(4) Uani 1 1 d D . . . .
H2N H 0.893(3) 0.624(2) 0.4928(18) 0.031(8) Uiso 1 1 d D . . . .
C1 C 0.5844(3) 0.85765(14) 0.62270(14) 0.0232(5) Uani 1 1 d . . . . .
C2 C 0.5973(2) 0.77575(13) 0.58914(13) 0.0202(4) Uani 1 1 d . . . . .
C3 C 0.5818(2) 0.70758(13) 0.64084(12) 0.0180(4) Uani 1 1 d . . . . .
H3 H 0.634078 0.720654 0.687041 0.022 Uiso 1 1 calc R U . . .
C4 C 0.6448(2) 0.63005(13) 0.61058(12) 0.0186(4) Uani 1 1 d . . . . .
C5 C 0.6414(3) 0.57101(14) 0.67369(13) 0.0241(5) Uani 1 1 d . . . . .
H5A H 0.681102 0.595806 0.718270 0.029 Uiso 1 1 calc R U . . .
H5B H 0.541427 0.557652 0.684259 0.029 Uiso 1 1 calc R U . . .
C6 C 0.7222(3) 0.49687(15) 0.65884(13) 0.0243(5) Uani 1 1 d . . . . .
C7 C 0.7966(5) 0.37796(18) 0.71029(19) 0.0522(9) Uani 1 1 d . . . . .
H7A H 0.811010 0.354840 0.758951 0.078 Uiso 1 1 calc R U . . .
H7B H 0.888665 0.387631 0.687161 0.078 Uiso 1 1 calc R U . . .
H7C H 0.741417 0.342244 0.679614 0.078 Uiso 1 1 calc R U . . .
C11 C 0.6295(4) 0.93890(16) 0.72351(18) 0.0411(7) Uani 1 1 d . . . . .
H11A H 0.529052 0.952278 0.732610 0.049 Uiso 1 1 calc R U . . .
H11B H 0.670343 0.978539 0.690239 0.049 Uiso 1 1 calc R U . . .
C12 C 0.7094(3) 0.93771(16) 0.79454(16) 0.0321(6) Uani 1 1 d . . . . .
C13 C 0.6910(4) 0.8804(2) 0.84760(19) 0.0464(8) Uani 1 1 d . . . . .
H13 H 0.627401 0.838654 0.838922 0.056 Uiso 1 1 calc R U . . .
C14 C 0.7652(5) 0.8842(2) 0.9129(2) 0.0542(9) Uani 1 1 d . . . . .
H14 H 0.753033 0.844550 0.948586 0.065 Uiso 1 1 calc R U . . .
C15 C 0.8558(4) 0.9442(2) 0.9268(2) 0.0483(8) Uani 1 1 d . . . . .
H15 H 0.904595 0.946673 0.972432 0.058 Uiso 1 1 calc R U . . .
C16 C 0.8765(4) 1.0010(2) 0.8748(2) 0.0469(8) Uani 1 1 d . . . . .
H16 H 0.940198 1.042598 0.884157 0.056 Uiso 1 1 calc R U . . .
C17 C 0.8038(3) 0.99735(17) 0.80874(19) 0.0383(6) Uani 1 1 d . . . . .
H17 H 0.818999 1.036353 0.772637 0.046 Uiso 1 1 calc R U . . .
C21 C 0.3169(3) 0.71651(14) 0.61039(13) 0.0227(5) Uani 1 1 d . . . . .
H21 H 0.328354 0.727078 0.559473 0.027 Uiso 1 1 calc R U . . .
C22 C 0.4255(3) 0.70570(13) 0.65918(13) 0.0196(4) Uani 1 1 d . . . . .
C23 C 0.3619(3) 0.69174(13) 0.72962(13) 0.0212(4) Uani 1 1 d . . . . .
C24 C 0.2135(3) 0.69445(13) 0.71836(14) 0.0231(5) Uani 1 1 d . . . . .
C25 C 0.1168(3) 0.68211(17) 0.77550(16) 0.0323(6) Uani 1 1 d . . . . .
H25 H 0.017567 0.684153 0.767159 0.039 Uiso 1 1 calc R U . . .
C26 C 0.1709(4) 0.6669(2) 0.84413(17) 0.0410(7) Uani 1 1 d . . . . .
H26 H 0.107906 0.657740 0.883901 0.049 Uiso 1 1 calc R U . . .
C27 C 0.3185(4) 0.6648(2) 0.85663(15) 0.0416(7) Uani 1 1 d . . . . .
H27 H 0.352739 0.654506 0.904766 0.050 Uiso 1 1 calc R U . . .
C28 C 0.4135(3) 0.67715(17) 0.80072(14) 0.0305(5) Uani 1 1 d . . . . .
H28 H 0.512569 0.675885 0.809962 0.037 Uiso 1 1 calc R U . . .
C31 C 0.8000(2) 0.64630(13) 0.58806(13) 0.0210(4) Uani 1 1 d . . . . .
C32 C 0.6880(3) 0.60029(14) 0.48592(14) 0.0252(5) Uani 1 1 d . . . . .
C33 C 0.5828(3) 0.59959(13) 0.53991(13) 0.0220(5) Uani 1 1 d . . . . .
C34 C 0.4504(3) 0.57027(16) 0.52372(15) 0.0294(5) Uani 1 1 d . . . . .
H34 H 0.378937 0.567472 0.560412 0.035 Uiso 1 1 calc R U . . .
C35 C 0.4236(4) 0.5446(2) 0.45164(18) 0.0404(7) Uani 1 1 d . . . . .
H35 H 0.332576 0.525014 0.439328 0.048 Uiso 1 1 calc R U . . .
C36 C 0.5277(4) 0.5476(2) 0.39869(17) 0.0455(8) Uani 1 1 d . . . . .
H36 H 0.506573 0.530969 0.350118 0.055 Uiso 1 1 calc R U . . .
C37 C 0.6640(4) 0.57466(18) 0.41496(15) 0.0367(6) Uani 1 1 d . . . . .
H37 H 0.736726 0.575366 0.378860 0.044 Uiso 1 1 calc R U . . .
C1S C 0.7375(3) 0.3740(2) 0.46908(17) 0.0401(7) Uani 1 1 d . . . . .
H1S H 0.763209 0.429096 0.480323 0.048 Uiso 1 1 calc R U . . .
Cl1S Cl 0.58095(10) 0.35127(8) 0.51608(5) 0.0638(3) Uani 1 1 d . . . . .
Cl2S Cl 0.87642(10) 0.31392(6) 0.49831(6) 0.0592(2) Uani 1 1 d . . . . .
Cl3S Cl 0.71205(11) 0.36522(8) 0.37358(5) 0.0659(3) Uani 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
O1 C1 1.323(3) . ?
O1 C11 1.468(3) . ?
O2 C1 1.201(3) . ?
O3 C2 1.207(3) . ?
O4 C31 1.222(3) . ?
O5 C6 1.195(3) . ?
O6 C6 1.334(3) . ?
O6 C7 1.455(4) . ?
N1 C21 1.365(3) . ?
N1 C24 1.370(3) . ?
N2 C31 1.350(3) . ?
N2 C32 1.404(3) . ?
C1 C2 1.541(3) . ?
C2 C3 1.511(3) . ?
C3 C22 1.513(3) . ?
C3 C4 1.561(3) . ?
C4 C33 1.507(3) . ?
C4 C5 1.533(3) . ?
C4 C31 1.546(3) . ?
C5 C6 1.511(3) . ?
C11 C12 1.496(4) . ?
C12 C17 1.384(4) . ?
C12 C13 1.391(5) . ?
C13 C14 1.380(5) . ?
C14 C15 1.364(6) . ?
C15 C16 1.374(6) . ?
C16 C17 1.386(5) . ?
C21 C22 1.369(4) . ?
C22 C23 1.435(3) . ?
C23 C28 1.405(4) . ?
C23 C24 1.417(3) . ?
C24 C25 1.399(4) . ?
C25 C26 1.374(5) . ?
C26 C27 1.412(5) . ?
C27 C28 1.373(4) . ?
C32 C37 1.383(4) . ?
C32 C33 1.397(4) . ?
C33 C34 1.380(4) . ?
C34 C35 1.406(4) . ?
C35 C36 1.377(5) . ?
C36 C37 1.400(5) . ?
C1S Cl1S 1.752(3) . ?
C1S Cl2S 1.752(3) . ?
C1S Cl3S 1.760(3) . ?

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
C1 O1 C11 114.2(2) . . ?
C6 O6 C7 115.3(2) . . ?
C21 N1 C24 109.0(2) . . ?
C31 N2 C32 111.7(2) . . ?
O2 C1 O1 125.6(2) . . ?
O2 C1 C2 121.9(2) . . ?
O1 C1 C2 112.4(2) . . ?
O3 C2 C3 125.7(2) . . ?
O3 C2 C1 116.9(2) . . ?
C3 C2 C1 117.1(2) . . ?
C2 C3 C22 104.38(18) . . ?
C2 C3 C4 114.04(18) . . ?
C22 C3 C4 115.52(19) . . ?
C33 C4 C5 113.57(19) . . ?
C33 C4 C31 101.84(19) . . ?
C5 C4 C31 109.77(19) . . ?
C33 C4 C3 116.75(19) . . ?
C5 C4 C3 107.12(18) . . ?
C31 C4 C3 107.44(18) . . ?
C6 C5 C4 114.5(2) . . ?
O5 C6 O6 123.7(2) . . ?
O5 C6 C5 125.8(2) . . ?
O6 C6 C5 110.5(2) . . ?
O1 C11 C12 108.7(2) . . ?
C17 C12 C13 118.5(3) . . ?
C17 C12 C11 118.4(3) . . ?
C13 C12 C11 123.1(3) . . ?
C14 C13 C12 120.0(3) . . ?
C15 C14 C13 121.0(3) . . ?
C14 C15 C16 120.0(3) . . ?
C15 C16 C17 119.6(3) . . ?
C12 C17 C16 121.0(3) . . ?
N1 C21 C22 110.1(2) . . ?
C21 C22 C23 106.7(2) . . ?
C21 C22 C3 125.8(2) . . ?
C23 C22 C3 127.5(2) . . ?
C28 C23 C24 118.8(2) . . ?
C28 C23 C22 135.0(2) . . ?
C24 C23 C22 106.2(2) . . ?
N1 C24 C25 129.9(2) . . ?
N1 C24 C23 108.0(2) . . ?
C25 C24 C23 122.2(3) . . ?
C26 C25 C24 117.5(3) . . ?
C25 C26 C27 121.2(3) . . ?
C28 C27 C26 121.4(3) . . ?
C27 C28 C23 118.9(3) . . ?
O4 C31 N2 127.0(2) . . ?
O4 C31 C4 124.7(2) . . ?
N2 C31 C4 108.3(2) . . ?
C37 C32 C33 122.5(3) . . ?
C37 C32 N2 128.0(2) . . ?
C33 C32 N2 109.5(2) . . ?
C34 C33 C32 119.8(2) . . ?
C34 C33 C4 131.4(2) . . ?
C32 C33 C4 108.7(2) . . ?
C33 C34 C35 118.5(3) . . ?
C36 C35 C34 120.8(3) . . ?
C35 C36 C37 121.4(3) . . ?
C32 C37 C36 117.0(3) . . ?
Cl1S C1S Cl2S 110.58(19) . . ?
Cl1S C1S Cl3S 110.31(18) . . ?
Cl2S C1S Cl3S 110.55(18) . . ?

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
C11 O1 C1 O2 1.6(4) . . . . ?
C11 O1 C1 C2 179.9(2) . . . . ?
O2 C1 C2 O3 29.1(4) . . . . ?
O1 C1 C2 O3 -149.3(2) . . . . ?
O2 C1 C2 C3 -145.7(2) . . . . ?
O1 C1 C2 C3 35.9(3) . . . . ?
O3 C2 C3 C22 -101.7(3) . . . . ?
C1 C2 C3 C22 72.6(2) . . . . ?
O3 C2 C3 C4 25.2(3) . . . . ?
C1 C2 C3 C4 -160.46(19) . . . . ?
C2 C3 C4 C33 -60.1(3) . . . . ?
C22 C3 C4 C33 60.9(3) . . . . ?
C2 C3 C4 C5 171.31(19) . . . . ?
C22 C3 C4 C5 -67.7(2) . . . . ?
C2 C3 C4 C31 53.4(2) . . . . ?
C22 C3 C4 C31 174.38(18) . . . . ?
C33 C4 C5 C6 60.1(3) . . . . ?
C31 C4 C5 C6 -53.2(3) . . . . ?
C3 C4 C5 C6 -169.5(2) . . . . ?
C7 O6 C6 O5 -0.3(5) . . . . ?
C7 O6 C6 C5 -179.3(3) . . . . ?
C4 C5 C6 O5 -2.5(4) . . . . ?
C4 C5 C6 O6 176.5(2) . . . . ?
C1 O1 C11 C12 -173.7(2) . . . . ?
O1 C11 C12 C17 131.9(3) . . . . ?
O1 C11 C12 C13 -49.4(4) . . . . ?
C17 C12 C13 C14 0.5(5) . . . . ?
C11 C12 C13 C14 -178.1(4) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C16 -1.4(6) . . . . ?
C14 C15 C16 C17 0.6(6) . . . . ?
C13 C12 C17 C16 -1.3(5) . . . . ?
C11 C12 C17 C16 177.4(3) . . . . ?
C15 C16 C17 C12 0.7(5) . . . . ?
C24 N1 C21 C22 -0.1(3) . . . . ?
N1 C21 C22 C23 -0.3(3) . . . . ?
N1 C21 C22 C3 179.2(2) . . . . ?
C2 C3 C22 C21 42.2(3) . . . . ?
C4 C3 C22 C21 -83.8(3) . . . . ?
C2 C3 C22 C23 -138.4(2) . . . . ?
C4 C3 C22 C23 95.5(3) . . . . ?
C21 C22 C23 C28 -179.6(3) . . . . ?
C3 C22 C23 C28 0.9(4) . . . . ?
C21 C22 C23 C24 0.5(3) . . . . ?
C3 C22 C23 C24 -178.9(2) . . . . ?
C21 N1 C24 C25 -179.2(3) . . . . ?
C21 N1 C24 C23 0.4(3) . . . . ?
C28 C23 C24 N1 179.6(2) . . . . ?
C22 C23 C24 N1 -0.5(3) . . . . ?
C28 C23 C24 C25 -0.8(4) . . . . ?
C22 C23 C24 C25 179.1(2) . . . . ?
N1 C24 C25 C26 179.4(3) . . . . ?
C23 C24 C25 C26 -0.1(4) . . . . ?
C24 C25 C26 C27 0.7(5) . . . . ?
C25 C26 C27 C28 -0.5(5) . . . . ?
C26 C27 C28 C23 -0.4(5) . . . . ?
C24 C23 C28 C27 1.1(4) . . . . ?
C22 C23 C28 C27 -178.8(3) . . . . ?
C32 N2 C31 O4 179.1(2) . . . . ?
C32 N2 C31 C4 -2.0(3) . . . . ?
C33 C4 C31 O4 -179.3(2) . . . . ?
C5 C4 C31 O4 -58.7(3) . . . . ?
C3 C4 C31 O4 57.5(3) . . . . ?
C33 C4 C31 N2 1.7(2) . . . . ?
C5 C4 C31 N2 122.4(2) . . . . ?
C3 C4 C31 N2 -121.5(2) . . . . ?
C31 N2 C32 C37 -177.9(3) . . . . ?
C31 N2 C32 C33 1.4(3) . . . . ?
C37 C32 C33 C34 2.1(4) . . . . ?
N2 C32 C33 C34 -177.3(2) . . . . ?
C37 C32 C33 C4 179.2(2) . . . . ?
N2 C32 C33 C4 -0.1(3) . . . . ?
C5 C4 C33 C34 57.8(4) . . . . ?
C31 C4 C33 C34 175.7(3) . . . . ?
C3 C4 C33 C34 -67.6(3) . . . . ?
C5 C4 C33 C32 -118.9(2) . . . . ?
C31 C4 C33 C32 -0.9(2) . . . . ?
C3 C4 C33 C32 115.7(2) . . . . ?
C32 C33 C34 C35 -2.6(4) . . . . ?
C4 C33 C34 C35 -178.9(3) . . . . ?
C33 C34 C35 C36 1.0(5) . . . . ?
C34 C35 C36 C37 1.3(5) . . . . ?
C33 C32 C37 C36 0.2(4) . . . . ?
N2 C32 C37 C36 179.3(3) . . . . ?
C35 C36 C37 C32 -1.8(5) . . . . ?

_refine_diff_density_max         0.467
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.054



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CHCl3'
