# 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 
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data_190902_zjut_cl_0m
_database_code_depnum_ccdc_archive 'CCDC 1961000'
loop_
_audit_author_name
_audit_author_address
'bispiropyrazolone-oxindoles '
;Zhejiang University of Technology
China
;
_audit_update_record             
;
2019-10-23 deposited with the CCDC.	2020-03-19 downloaded from the CCDC.
;
_audit_creation_date             2019-09-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H30 Cl N3 O4'
_chemical_formula_sum            'C37 H30 Cl N3 O4'
_chemical_formula_weight         616.09
_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   14.9316(3)
_cell_length_b                   21.2054(5)
_cell_length_c                   20.0243(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.6540(10)
_cell_angle_gamma                90
_cell_volume                     6283.8(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.07
_cell_measurement_theta_min      2.51
_shelx_estimated_absorpt_T_max   0.971
_shelx_estimated_absorpt_T_min   0.952
_exptl_absorpt_coefficient_mu    0.167
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0552 before and 0.0432 after correction.
The Ratio of minimum to maximum transmission is 0.9521.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27211
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.115
_diffrn_reflns_theta_min         2.178
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5359
_reflns_number_total             6918
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6918
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0387
_refine_ls_restrained_S_all      1.025
_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)+(0.0465P)²+2.8160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.1054
_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:
 C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C30(H30A,H30B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C11(H11), C17(H17), C18(H18), C19(H19), C20(H20),
 C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C33(H33), C34(H34),
  C35(H35), C36(H36), C37(H37)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   geom
_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 0.61554(3) 0.74972(2) 0.28845(2) 0.05625(12) Uani 1 1 d . . . . .
O1 O 0.38824(7) 0.75360(5) 0.48733(5) 0.0466(2) Uani 1 1 d . . . . .
O2 O 0.37987(7) 0.50594(5) 0.43994(5) 0.0482(3) Uani 1 1 d . . . . .
O3 O 0.17212(8) 0.59900(7) 0.55914(6) 0.0636(3) Uani 1 1 d . . . . .
O4 O 0.15656(7) 0.59220(6) 0.44661(6) 0.0546(3) Uani 1 1 d . . . . .
N1 N 0.47925(8) 0.73815(5) 0.40489(6) 0.0376(3) Uani 1 1 d . . . . .
N2 N 0.31371(9) 0.55448(6) 0.34221(6) 0.0455(3) Uani 1 1 d . . . . .
N3 N 0.27218(9) 0.61306(6) 0.32416(6) 0.0457(3) Uani 1 1 d . . . . .
C1 C 0.55024(11) 0.57582(8) 0.40446(8) 0.0494(4) Uani 1 1 d . . . . .
H1 H 0.538740 0.539810 0.428431 0.059 Uiso 1 1 calc R . . . .
C2 C 0.61109(12) 0.57422(8) 0.35780(9) 0.0574(4) Uani 1 1 d . . . . .
H2 H 0.640305 0.536708 0.350108 0.069 Uiso 1 1 calc R . . . .
C3 C 0.62847(11) 0.62753(9) 0.32295(8) 0.0541(4) Uani 1 1 d . . . . .
H3 H 0.668480 0.625445 0.291182 0.065 Uiso 1 1 calc R . . . .
C4 C 0.58733(9) 0.68459(8) 0.33428(7) 0.0432(3) Uani 1 1 d . . . . .
C5 C 0.52702(9) 0.68720(7) 0.38125(7) 0.0373(3) Uani 1 1 d . . . . .
C6 C 0.50708(9) 0.63198(7) 0.41461(7) 0.0384(3) Uani 1 1 d . . . . .
C7 C 0.43708(9) 0.64681(6) 0.46021(7) 0.0361(3) Uani 1 1 d . . . . .
C8 C 0.43053(9) 0.71876(6) 0.45492(7) 0.0368(3) Uani 1 1 d . . . . .
C9 C 0.33920(9) 0.61857(6) 0.43610(7) 0.0362(3) Uani 1 1 d . . . . .
C10 C 0.30001(10) 0.61484(7) 0.50216(7) 0.0393(3) Uani 1 1 d . . . . .
C11 C 0.36445(10) 0.61580(7) 0.55436(7) 0.0441(3) Uani 1 1 d . . . . .
H11 H 0.353166 0.611552 0.598710 0.053 Uiso 1 1 calc R . . . .
C12 C 0.45733(10) 0.62439(7) 0.53521(7) 0.0405(3) Uani 1 1 d . . . . .
H12 H 0.485611 0.582684 0.535273 0.049 Uiso 1 1 calc R . . . .
C13 C 0.34836(9) 0.55170(7) 0.40868(7) 0.0385(3) Uani 1 1 d . . . . .
C14 C 0.28501(9) 0.64963(7) 0.37548(7) 0.0401(3) Uani 1 1 d . . . . .
C15 C 0.48261(10) 0.80483(7) 0.38726(7) 0.0426(3) Uani 1 1 d . . . . .
H15A H 0.428619 0.825284 0.398799 0.051 Uiso 1 1 calc R . . . .
H15B H 0.481653 0.808319 0.338870 0.051 Uiso 1 1 calc R . . . .
C16 C 0.56432(10) 0.83979(7) 0.42148(7) 0.0423(3) Uani 1 1 d . . . . .
C17 C 0.59455(13) 0.89272(8) 0.39084(10) 0.0614(4) Uani 1 1 d . . . . .
H17 H 0.567674 0.904112 0.347961 0.074 Uiso 1 1 calc R . . . .
C18 C 0.66420(14) 0.92887(9) 0.42321(12) 0.0710(5) Uani 1 1 d . . . . .
H18 H 0.683837 0.964268 0.401897 0.085 Uiso 1 1 calc R . . . .
C19 C 0.70436(13) 0.91303(9) 0.48613(11) 0.0657(5) Uani 1 1 d . . . . .
H19 H 0.750241 0.938013 0.508212 0.079 Uiso 1 1 calc R . . . .
C20 C 0.67663(13) 0.86021(10) 0.51642(10) 0.0688(5) Uani 1 1 d . . . . .
H20 H 0.704686 0.848672 0.558927 0.083 Uiso 1 1 calc R . . . .
C21 C 0.60657(11) 0.82343(9) 0.48412(9) 0.0579(4) Uani 1 1 d . . . . .
H21 H 0.588292 0.787472 0.505219 0.069 Uiso 1 1 calc R . . . .
C22 C 0.29740(12) 0.50295(8) 0.29694(7) 0.0511(4) Uani 1 1 d . . . . .
C23 C 0.21802(15) 0.50030(10) 0.25340(9) 0.0714(5) Uani 1 1 d . . . . .
H23 H 0.176099 0.532854 0.252114 0.086 Uiso 1 1 calc R . . . .
C24 C 0.20145(18) 0.44850(13) 0.21153(11) 0.0900(7) Uani 1 1 d . . . . .
H24 H 0.148375 0.446456 0.181483 0.108 Uiso 1 1 calc R . . . .
C25 C 0.2627(2) 0.40028(11) 0.21408(11) 0.0888(8) Uani 1 1 d . . . . .
H25 H 0.250072 0.364945 0.186937 0.107 Uiso 1 1 calc R . . . .
C26 C 0.3416(2) 0.40381(10) 0.25603(10) 0.0877(7) Uani 1 1 d . . . . .
H26 H 0.383359 0.371181 0.256900 0.105 Uiso 1 1 calc R . . . .
C27 C 0.36067(16) 0.45591(9) 0.29782(9) 0.0699(5) Uani 1 1 d . . . . .
H27 H 0.415404 0.458781 0.325879 0.084 Uiso 1 1 calc R . . . .
C28 C 0.24270(11) 0.71346(8) 0.37169(9) 0.0545(4) Uani 1 1 d . . . . .
H28A H 0.288603 0.744942 0.370205 0.082 Uiso 1 1 calc GR . . . .
H28B H 0.212775 0.720191 0.410650 0.082 Uiso 1 1 calc GR . . . .
H28C H 0.199495 0.716348 0.331766 0.082 Uiso 1 1 calc GR . . . .
C29 C 0.20360(10) 0.60153(7) 0.50718(8) 0.0442(3) Uani 1 1 d . . . . .
C30 C 0.06052(12) 0.58157(13) 0.44530(12) 0.0834(7) Uani 1 1 d . . . . .
H30A H 0.033181 0.616960 0.465698 0.100 Uiso 1 1 calc R . . . .
H30B H 0.050299 0.543782 0.470512 0.100 Uiso 1 1 calc R . . . .
C31 C 0.01980(16) 0.57439(13) 0.37410(14) 0.0997(8) Uani 1 1 d . . . . .
H31A H 0.032646 0.611179 0.349103 0.150 Uiso 1 1 calc GR . . . .
H31B H -0.044425 0.569449 0.371978 0.150 Uiso 1 1 calc GR . . . .
H31C H 0.044797 0.537877 0.355083 0.150 Uiso 1 1 calc GR . . . .
C32 C 0.52112(10) 0.66725(7) 0.57965(7) 0.0420(3) Uani 1 1 d . . . . .
C33 C 0.61278(10) 0.66449(8) 0.57541(8) 0.0521(4) Uani 1 1 d . . . . .
H33 H 0.634387 0.635457 0.546619 0.063 Uiso 1 1 calc R . . . .
C34 C 0.67268(12) 0.70438(10) 0.61346(9) 0.0637(5) Uani 1 1 d . . . . .
H34 H 0.734052 0.702161 0.609828 0.076 Uiso 1 1 calc R . . . .
C35 C 0.64209(14) 0.74705(9) 0.65638(10) 0.0655(5) Uani 1 1 d . . . . .
H35 H 0.682376 0.774045 0.681674 0.079 Uiso 1 1 calc R . . . .
C36 C 0.55127(14) 0.74976(9) 0.66186(10) 0.0653(5) Uani 1 1 d . . . . .
H36 H 0.530303 0.778333 0.691423 0.078 Uiso 1 1 calc R . . . .
C37 C 0.49084(12) 0.71020(8) 0.62360(8) 0.0560(4) Uani 1 1 d . . . . .
H37 H 0.429560 0.712529 0.627500 0.067 Uiso 1 1 calc R . . . .


_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 1.7406(16) . ?
O1 C8 1.2143(16) . ?
O2 C13 1.2152(17) . ?
O3 C29 1.1988(18) . ?
O4 C29 1.3328(19) . ?
O4 C30 1.448(2) . ?
N1 C5 1.4108(18) . ?
N1 C8 1.3770(18) . ?
N1 C15 1.4599(17) . ?
N2 N3 1.4136(17) . ?
N2 C13 1.3635(18) . ?
N2 C22 1.4200(19) . ?
N3 C14 1.2814(19) . ?
C1 H1 0.9300 . ?
C1 C2 1.388(2) . ?
C1 C6 1.382(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(2) . ?
C4 C5 1.3872(19) . ?
C5 C6 1.400(2) . ?
C6 C7 1.5097(18) . ?
C7 C8 1.5316(19) . ?
C7 C9 1.5938(19) . ?
C7 C12 1.5659(19) . ?
C9 C10 1.5180(18) . ?
C9 C13 1.5333(19) . ?
C9 C14 1.5167(19) . ?
C10 C11 1.323(2) . ?
C10 C29 1.483(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.498(2) . ?
C12 H12 0.9800 . ?
C12 C32 1.516(2) . ?
C14 C28 1.491(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.512(2) . ?
C16 C17 1.383(2) . ?
C16 C21 1.372(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.382(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.363(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.364(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.393(2) . ?
C21 H21 0.9300 . ?
C22 C23 1.376(3) . ?
C22 C27 1.372(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.384(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.368(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.355(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.392(3) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.481(3) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.384(2) . ?
C32 C37 1.384(2) . ?
C33 H33 0.9300 . ?
C33 C34 1.384(2) . ?
C34 H34 0.9300 . ?
C34 C35 1.368(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.376(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.386(3) . ?
C37 H37 0.9300 . ?

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
C29 O4 C30 116.12(14) . . ?
C5 N1 C15 128.72(12) . . ?
C8 N1 C5 110.80(11) . . ?
C8 N1 C15 120.24(11) . . ?
N3 N2 C22 118.74(12) . . ?
C13 N2 N3 112.58(11) . . ?
C13 N2 C22 126.90(13) . . ?
C14 N3 N2 108.25(12) . . ?
C2 C1 H1 120.7 . . ?
C6 C1 H1 120.7 . . ?
C6 C1 C2 118.68(15) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.52(15) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.14(14) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 Cl1 117.49(11) . . ?
C5 C4 Cl1 123.40(12) . . ?
C5 C4 C3 119.11(14) . . ?
C4 C5 N1 131.37(13) . . ?
C4 C5 C6 119.27(13) . . ?
C6 C5 N1 109.35(11) . . ?
C1 C6 C5 121.18(13) . . ?
C1 C6 C7 129.97(13) . . ?
C5 C6 C7 108.84(12) . . ?
C6 C7 C8 102.05(11) . . ?
C6 C7 C9 114.79(11) . . ?
C6 C7 C12 117.14(11) . . ?
C8 C7 C9 107.80(11) . . ?
C8 C7 C12 111.79(11) . . ?
C12 C7 C9 103.21(10) . . ?
O1 C8 N1 124.74(13) . . ?
O1 C8 C7 127.01(13) . . ?
N1 C8 C7 108.22(11) . . ?
C10 C9 C7 101.54(10) . . ?
C10 C9 C13 109.08(11) . . ?
C13 C9 C7 109.51(11) . . ?
C14 C9 C7 116.69(11) . . ?
C14 C9 C10 119.58(12) . . ?
C14 C9 C13 100.28(11) . . ?
C11 C10 C9 111.31(12) . . ?
C11 C10 C29 124.02(13) . . ?
C29 C10 C9 124.00(12) . . ?
C10 C11 H11 123.2 . . ?
C10 C11 C12 113.58(13) . . ?
C12 C11 H11 123.2 . . ?
C7 C12 H12 107.7 . . ?
C11 C12 C7 102.43(11) . . ?
C11 C12 H12 107.7 . . ?
C11 C12 C32 116.94(12) . . ?
C32 C12 C7 114.00(12) . . ?
C32 C12 H12 107.7 . . ?
O2 C13 N2 127.44(13) . . ?
O2 C13 C9 126.94(12) . . ?
N2 C13 C9 105.62(11) . . ?
N3 C14 C9 112.70(13) . . ?
N3 C14 C28 119.44(13) . . ?
C28 C14 C9 127.74(13) . . ?
N1 C15 H15A 108.6 . . ?
N1 C15 H15B 108.6 . . ?
N1 C15 C16 114.64(12) . . ?
H15A C15 H15B 107.6 . . ?
C16 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
C17 C16 C15 119.22(14) . . ?
C21 C16 C15 122.39(14) . . ?
C21 C16 C17 118.25(15) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.78(18) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.51(18) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.3 . . ?
C18 C19 C20 119.41(17) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.46(18) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 120.56(17) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 N2 119.74(17) . . ?
C27 C22 N2 119.47(16) . . ?
C27 C22 C23 120.79(17) . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 119.1(2) . . ?
C24 C23 H23 120.5 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(2) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.5(2) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 118.9(2) . . ?
C22 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C14 C28 H28A 109.5 . . ?
C14 C28 H28B 109.5 . . ?
C14 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O3 C29 O4 124.27(14) . . ?
O3 C29 C10 124.31(14) . . ?
O4 C29 C10 111.42(12) . . ?
O4 C30 H30A 110.1 . . ?
O4 C30 H30B 110.1 . . ?
O4 C30 C31 108.17(18) . . ?
H30A C30 H30B 108.4 . . ?
C31 C30 H30A 110.1 . . ?
C31 C30 H30B 110.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C12 119.19(13) . . ?
C37 C32 C12 122.34(14) . . ?
C37 C32 C33 118.47(15) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.82(16) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.33(17) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.53(17) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.43(17) . . ?
C37 C36 H36 119.8 . . ?
C32 C37 C36 120.42(16) . . ?
C32 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
