# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 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_mb-aza-tt
_database_code_depnum_ccdc_archive 'CCDC 2005037'
loop_
_audit_author_name
_audit_author_address
'SHARADA D'
;Pondicherry University
India
;
_audit_update_record             
;
2020-05-21 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;
_audit_creation_date             2020-05-21
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2016.03.30 svn.r3266 for Rigaku Oxford Diffraction, GUI svn.r5168)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C20 H19 N O3, C20 H17 N O3'
_chemical_formula_sum            'C40 H36 N2 O6'
_chemical_formula_weight         640.71
_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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/a 1'
_space_group_name_Hall           '-P 2yab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z'

_cell_length_a                   14.1749(9)
_cell_length_b                   16.1144(8)
_cell_length_c                   14.9624(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.976(6)
_cell_angle_gamma                90.00
_cell_volume                     3415.7(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2967
_cell_measurement_temperature    298
_cell_measurement_theta_max      29.1378
_cell_measurement_theta_min      4.0224
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.4
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17071
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.20
_diffrn_reflns_theta_min         4.03
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3739
_reflns_number_total             7844
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0014(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7844
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.0821
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1088P)²+0.2843P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2654
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C29(H29)
2.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C39(H39A,H39B), C19(H19A,H19B)
2.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C25(H25), C26(H26), C24(H24), C36(H36), C35(H35), C37(H37), C31(H31),
 C34(H34), C33(H33), C32(H32), N1(H1), C6(H6), C16(H16), C4(H4), C8(H8), C5(H5),
  C17(H17), C15(H15), C11(H11), C13(H13), C14(H14), C12(H12)
2.d Idealised Me refined as rotating group:
 C40(H40A,H40B,H40C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N2 N 0.88182(17) 0.18345(13) 0.90036(17) 0.0515(6) Uani 1 d . . .
H2 H 0.8961 0.1363 0.8775 0.062 Uiso 1 calc . . R
C22 C 0.76606(19) 0.26608(15) 0.97854(19) 0.0438(7) Uani 1 d . . .
C21 C 0.80775(19) 0.18892(15) 0.95706(19) 0.0439(7) Uani 1 d . . .
C23 C 0.6883(2) 0.26722(16) 1.0363(2) 0.0483(7) Uani 1 d . . .
O6 O 0.77635(19) 0.41113(12) 0.95152(18) 0.0818(8) Uani 1 d . . .
C25 C 0.6967(2) 0.11856(18) 1.0466(2) 0.0622(9) Uani 1 d . . .
H25 H 0.6730 0.0693 1.0691 0.075 Uiso 1 calc . . R
C26 C 0.7716(2) 0.11590(17) 0.9925(2) 0.0550(8) Uani 1 d . . .
H26 H 0.7989 0.0652 0.9791 0.066 Uiso 1 calc . . R
C30 C 1.0016(2) 0.24333(17) 0.8032(2) 0.0525(8) Uani 1 d . . .
C27 C 0.8040(2) 0.34070(16) 0.9365(2) 0.0514(7) Uani 1 d . . .
C24 C 0.6544(2) 0.19359(17) 1.0691(2) 0.0600(8) Uani 1 d . . .
H24 H 0.6032 0.1938 1.1063 0.072 Uiso 1 calc . . R
O5 O 0.45075(19) 0.43598(14) 1.1669(2) 0.1003(11) Uani 1 d . . .
C28 C 0.8744(3) 0.32753(18) 0.8665(3) 0.0724(10) Uani 1 d . . .
H28A H 0.8410 0.3223 0.8092 0.087 Uiso 1 calc . . R
H28B H 0.9140 0.3766 0.8639 0.087 Uiso 1 calc . . R
C36 C 0.6431(2) 0.34482(18) 1.0624(3) 0.0667(9) Uani 1 d . . .
H36 H 0.6754 0.3924 1.0460 0.080 Uiso 1 calc . . R
C38 C 0.5308(2) 0.43862(19) 1.1261(2) 0.0591(9) Uani 1 d . . .
C29 C 0.9352(2) 0.25552(18) 0.8792(3) 0.0642(9) Uani 1 d . . .
H29 H 0.9753 0.2673 0.9323 0.077 Uiso 1 calc . . R
O4 O 0.5686(3) 0.50090(15) 1.1148(4) 0.166(2) Uani 1 d . . .
C35 C 0.9767(2) 0.2003(2) 0.7268(3) 0.0643(9) Uani 1 d . . .
H35 H 0.9178 0.1751 0.7216 0.077 Uiso 1 calc . . R
C37 C 0.5688(3) 0.35878(19) 1.1027(3) 0.0761(11) Uani 1 d . . .
H37 H 0.5343 0.3126 1.1194 0.091 Uiso 1 calc . . R
C31 C 1.0899(2) 0.2806(2) 0.8090(3) 0.0647(9) Uani 1 d . . .
H31 H 1.1082 0.3099 0.8603 0.078 Uiso 1 calc . . R
C40 C 0.3342(3) 0.4950(3) 1.2563(4) 0.1178(18) Uani 1 d . . .
H40A H 0.2916 0.4540 1.2317 0.177 Uiso 1 calc . . GR
H40B H 0.3002 0.5452 1.2674 0.177 Uiso 1 calc . . GR
H40C H 0.3624 0.4748 1.3113 0.177 Uiso 1 calc . . GR
C34 C 1.0381(3) 0.1942(2) 0.6578(3) 0.0752(10) Uani 1 d . . .
H34 H 1.0204 0.1647 0.6065 0.090 Uiso 1 calc . . R
C33 C 1.1249(3) 0.2309(2) 0.6641(3) 0.0806(11) Uani 1 d . . .
H33 H 1.1663 0.2262 0.6175 0.097 Uiso 1 calc . . R
C39 C 0.4070(3) 0.5114(2) 1.1937(4) 0.0951(15) Uani 1 d . . .
H39A H 0.3798 0.5393 1.1415 0.114 Uiso 1 calc . . R
H39B H 0.4542 0.5478 1.2212 0.114 Uiso 1 calc . . R
C32 C 1.1505(2) 0.2746(2) 0.7394(3) 0.0791(11) Uani 1 d . . .
H32 H 1.2092 0.3003 0.7437 0.095 Uiso 1 calc . . R
C2 C 0.2769(2) 0.03006(16) 0.5184(2) 0.0471(7) Uani 1 d . . .
O3 O 0.30690(17) 0.17548(12) 0.52565(19) 0.0778(8) Uani 1 d . . .
N1 N 0.38887(18) -0.05421(13) 0.60331(19) 0.0596(7) Uani 1 d . . .
H1 H 0.4059 -0.1027 0.6218 0.072 Uiso 1 calc . . R
C3 C 0.1947(2) 0.03284(17) 0.4615(2) 0.0582(8) Uani 1 d . . .
C7 C 0.3271(2) 0.10527(17) 0.5497(2) 0.0548(8) Uani 1 d . . .
C10 C 0.5126(2) -0.00143(17) 0.7057(2) 0.0553(8) Uani 1 d . . .
C6 C 0.2652(2) -0.12020(18) 0.5195(2) 0.0660(10) Uani 1 d . . .
H6 H 0.2882 -0.1715 0.5385 0.079 Uiso 1 calc . . R
C1 C 0.3115(2) -0.04770(16) 0.5476(2) 0.0486(7) Uani 1 d . . .
O2 O -0.05725(18) 0.20014(14) 0.3403(2) 0.0970(10) Uani 1 d . . .
C16 C 0.1535(2) 0.11169(18) 0.4275(3) 0.0672(10) Uani 1 d . . .
H16 H 0.1943 0.1567 0.4249 0.081 Uiso 1 calc . . R
C4 C 0.1512(3) -0.04083(19) 0.4360(3) 0.0761(12) Uani 1 d . . .
H4 H 0.0972 -0.0395 0.3990 0.091 Uiso 1 calc . . R
C18 C 0.0311(2) 0.20369(19) 0.3686(2) 0.0626(9) Uani 1 d . . .
C8 C 0.4051(3) 0.09220(19) 0.6182(3) 0.0924(15) Uani 1 d . . .
H8 H 0.4285 0.1369 0.6514 0.111 Uiso 1 calc . . R
C5 C 0.1874(3) -0.11633(19) 0.4648(3) 0.0764(11) Uani 1 d . . .
H5 H 0.1577 -0.1652 0.4464 0.092 Uiso 1 calc . . R
C17 C 0.0683(3) 0.12469(19) 0.4014(3) 0.0735(11) Uani 1 d . . .
H17 H 0.0266 0.0802 0.4035 0.088 Uiso 1 calc . . R
O1 O 0.0756(2) 0.26458(16) 0.3626(3) 0.1349(16) Uani 1 d . . .
C15 C 0.4845(3) -0.0288(2) 0.7868(3) 0.0756(10) Uani 1 d . . .
H15 H 0.4209 -0.0398 0.7943 0.091 Uiso 1 calc . . R
C19 C -0.1022(3) 0.2748(2) 0.3042(3) 0.0951(15) Uani 1 d . . .
H19A H -0.1180 0.3119 0.3525 0.114 Uiso 1 calc . . R
H19B H -0.0594 0.3036 0.2655 0.114 Uiso 1 calc . . R
C9 C 0.4422(4) 0.0148(2) 0.6320(4) 0.115(2) Uani 1 d . . .
C11 C 0.6075(3) 0.0115(2) 0.6948(3) 0.0784(11) Uani 1 d . . .
H11 H 0.6290 0.0284 0.6397 0.094 Uiso 1 calc . . R
C13 C 0.6350(6) -0.0270(3) 0.8472(4) 0.116(2) Uani 1 d . . .
H13 H 0.6757 -0.0353 0.8965 0.139 Uiso 1 calc . . R
C14 C 0.5447(5) -0.0403(3) 0.8553(3) 0.1041(15) Uani 1 d . . .
H14 H 0.5224 -0.0579 0.9099 0.125 Uiso 1 calc . . R
C12 C 0.6720(3) -0.0009(3) 0.7671(5) 0.113(2) Uani 1 d . . .
H12 H 0.7363 0.0080 0.7615 0.135 Uiso 1 calc . . R
C20 C -0.1868(4) 0.2509(3) 0.2540(4) 0.124(2) Uani 1 d . . .
H20A H -0.1704 0.2148 0.2059 0.185 Uiso 1 calc . . GR
H20B H -0.2175 0.2995 0.2301 0.185 Uiso 1 calc . . GR
H20C H -0.2286 0.2224 0.2927 0.185 Uiso 1 calc . . GR


_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
N2 H2 0.8600 . ?
N2 C21 1.375(4) . ?
N2 C29 1.427(4) . ?
C22 C21 1.418(3) . ?
C22 C23 1.425(4) . ?
C22 C27 1.467(4) . ?
C21 C26 1.396(4) . ?
C23 C24 1.377(4) . ?
C23 C36 1.464(4) . ?
O6 C27 1.224(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.357(4) . ?
C25 C24 1.396(4) . ?
C26 H26 0.9300 . ?
C30 C29 1.514(5) . ?
C30 C35 1.373(5) . ?
C30 C31 1.388(4) . ?
C27 C28 1.487(5) . ?
C24 H24 0.9300 . ?
O5 C38 1.308(4) . ?
O5 C39 1.428(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.453(4) . ?
C36 H36 0.9300 . ?
C36 C37 1.252(4) . ?
C38 O4 1.153(4) . ?
C38 C37 1.443(4) . ?
C29 H29 0.9800 . ?
C35 H35 0.9300 . ?
C35 C34 1.377(5) . ?
C37 H37 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.376(5) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C40 C39 1.442(6) . ?
C34 H34 0.9300 . ?
C34 C33 1.365(5) . ?
C33 H33 0.9300 . ?
C33 C32 1.367(6) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C32 H32 0.9300 . ?
C2 C3 1.421(4) . ?
C2 C7 1.473(4) . ?
C2 C1 1.409(4) . ?
O3 C7 1.219(3) . ?
N1 H1 0.8600 . ?
N1 C1 1.359(4) . ?
N1 C9 1.403(4) . ?
C3 C16 1.481(4) . ?
C3 C4 1.385(4) . ?
C7 C8 1.496(5) . ?
C10 C15 1.363(5) . ?
C10 C9 1.485(5) . ?
C10 C11 1.377(5) . ?
C6 H6 0.9300 . ?
C6 C1 1.397(4) . ?
C6 C5 1.352(4) . ?
O2 C18 1.309(4) . ?
O2 C19 1.457(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.272(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(4) . ?
C18 C17 1.457(4) . ?
C18 O1 1.172(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.367(5) . ?
C5 H5 0.9300 . ?
C17 H17 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.323(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.445(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.405(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.308(8) . ?
C13 C12 1.390(8) . ?
C14 H14 0.9300 . ?
C12 H12 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
C21 N2 H2 119.8 . . ?
C21 N2 C29 120.4(2) . . ?
C29 N2 H2 119.8 . . ?
C21 C22 C23 119.1(2) . . ?
C21 C22 C27 117.4(3) . . ?
C23 C22 C27 123.5(2) . . ?
N2 C21 C22 121.9(2) . . ?
N2 C21 C26 118.6(2) . . ?
C26 C21 C22 119.4(3) . . ?
C22 C23 C36 121.8(3) . . ?
C24 C23 C22 119.5(2) . . ?
C24 C23 C36 118.7(3) . . ?
C26 C25 H25 119.3 . . ?
C26 C25 C24 121.5(3) . . ?
C24 C25 H25 119.3 . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.3(3) . . ?
C25 C26 H26 119.8 . . ?
C35 C30 C29 122.9(3) . . ?
C35 C30 C31 118.4(3) . . ?
C31 C30 C29 118.7(3) . . ?
C22 C27 C28 116.7(2) . . ?
O6 C27 C22 123.9(3) . . ?
O6 C27 C28 119.2(3) . . ?
C23 C24 C25 120.2(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C38 O5 C39 119.7(3) . . ?
C27 C28 H28A 108.4 . . ?
C27 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
C29 C28 C27 115.5(3) . . ?
C29 C28 H28A 108.4 . . ?
C29 C28 H28B 108.4 . . ?
C23 C36 H36 114.2 . . ?
C37 C36 C23 131.7(3) . . ?
C37 C36 H36 114.2 . . ?
O5 C38 C37 114.9(3) . . ?
O4 C38 O5 120.8(3) . . ?
O4 C38 C37 124.1(3) . . ?
N2 C29 C30 114.1(3) . . ?
N2 C29 C28 111.3(3) . . ?
N2 C29 H29 106.0 . . ?
C30 C29 H29 106.0 . . ?
C28 C29 C30 112.7(3) . . ?
C28 C29 H29 106.0 . . ?
C30 C35 H35 119.7 . . ?
C30 C35 C34 120.7(3) . . ?
C34 C35 H35 119.7 . . ?
C36 C37 C38 127.2(3) . . ?
C36 C37 H37 116.4 . . ?
C38 C37 H37 116.4 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.5(4) . . ?
C32 C31 H31 119.7 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
C35 C34 H34 119.7 . . ?
C33 C34 C35 120.5(4) . . ?
C33 C34 H34 119.7 . . ?
C34 C33 H33 120.2 . . ?
C34 C33 C32 119.6(4) . . ?
C32 C33 H33 120.2 . . ?
O5 C39 C40 110.7(3) . . ?
O5 C39 H39A 109.5 . . ?
O5 C39 H39B 109.5 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.3(3) . . ?
C33 C32 H32 119.8 . . ?
C3 C2 C7 122.8(2) . . ?
C1 C2 C3 118.9(2) . . ?
C1 C2 C7 118.3(3) . . ?
C1 N1 H1 118.6 . . ?
C1 N1 C9 122.8(2) . . ?
C9 N1 H1 118.6 . . ?
C2 C3 C16 122.6(3) . . ?
C4 C3 C2 119.1(3) . . ?
C4 C3 C16 118.3(3) . . ?
C2 C7 C8 116.0(2) . . ?
O3 C7 C2 124.3(3) . . ?
O3 C7 C8 119.6(3) . . ?
C15 C10 C9 120.6(4) . . ?
C15 C10 C11 118.1(3) . . ?
C11 C10 C9 121.3(4) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C1 120.5(3) . . ?
N1 C1 C2 121.6(2) . . ?
N1 C1 C6 118.7(2) . . ?
C6 C1 C2 119.7(3) . . ?
C18 O2 C19 119.0(3) . . ?
C3 C16 H16 116.4 . . ?
C17 C16 C3 127.2(3) . . ?
C17 C16 H16 116.4 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
O2 C18 C17 113.7(3) . . ?
O1 C18 O2 121.6(3) . . ?
O1 C18 C17 124.5(3) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(3) . . ?
C9 C8 H8 119.9 . . ?
C6 C5 C4 121.0(3) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C16 C17 C18 125.2(3) . . ?
C16 C17 H17 117.4 . . ?
C18 C17 H17 117.4 . . ?
C10 C15 H15 118.8 . . ?
C14 C15 C10 122.3(4) . . ?
C14 C15 H15 118.8 . . ?
O2 C19 H19A 110.0 . . ?
O2 C19 H19B 110.0 . . ?
H19A C19 H19B 108.4 . . ?
C20 C19 O2 108.4(3) . . ?
C20 C19 H19A 110.0 . . ?
C20 C19 H19B 110.0 . . ?
N1 C9 C10 115.4(3) . . ?
C8 C9 N1 118.5(3) . . ?
C8 C9 C10 121.2(3) . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 119.9(4) . . ?
C12 C11 H11 120.0 . . ?
C14 C13 H13 119.1 . . ?
C14 C13 C12 121.9(5) . . ?
C12 C13 H13 119.1 . . ?
C15 C14 H14 119.6 . . ?
C13 C14 C15 120.8(5) . . ?
C13 C14 H14 119.6 . . ?
C11 C12 H12 121.5 . . ?
C13 C12 C11 116.9(4) . . ?
C13 C12 H12 121.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
