# 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. 
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data_spo45_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2357318'
loop_
_audit_author_name
_audit_author_address
'srinivas vinjamuri'
;IISER kolkata
India
;
_audit_update_record             
;
2024-05-22 deposited with the CCDC.	2024-08-09 downloaded from the CCDC.
;
_audit_creation_date             2024-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H23 N3 O2'
_chemical_formula_sum            'C23 H23 N3 O2'
_chemical_formula_weight         373.44
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4621(13)
_cell_length_b                   9.9741(14)
_cell_length_c                   11.4369(15)
_cell_angle_alpha                71.120(4)
_cell_angle_beta                 86.589(4)
_cell_angle_gamma                79.453(4)
_cell_volume                     1004.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4231
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.940
_cell_measurement_theta_min      2.191
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0979 before and 0.0716 after correction.
The Ratio of minimum to maximum transmission is 0.7931.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             396
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1064
_diffrn_reflns_av_unetI/netI     0.0730
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38087
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.503
_diffrn_reflns_theta_min         2.189
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_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                2457
_reflns_number_total             5093
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 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    ?
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         5093
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1658
_refine_ls_R_factor_gt           0.0726
_refine_ls_restrained_S_all      1.055
_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)+(0.0982P)²+0.1921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1728
_refine_ls_wR_factor_ref         0.2293
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C14(H14A,H14B), C15(H15A,H15B),
 C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C19(H19), C20(H20), C21(H21), C22(H22),
 C23(H23)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
O1 O 0.6061(2) 0.6494(2) 0.20628(18) 0.0638(6) Uani 1 1 d . . . . .
O2 O 0.4325(2) 0.2982(2) 0.26203(17) 0.0607(6) Uani 1 1 d . . . . .
N1 N 0.3071(2) 0.4590(2) 0.10081(19) 0.0477(6) Uani 1 1 d . . . . .
N2 N 0.2455(2) 0.6025(2) 0.28012(19) 0.0469(6) Uani 1 1 d . . . . .
N3 N 0.4779(2) 0.6719(2) 0.37604(19) 0.0445(5) Uani 1 1 d . . . . .
C1 C 0.5928(3) 0.8719(3) 0.3857(3) 0.0642(8) Uani 1 1 d . . . . .
H1 H 0.517299 0.920905 0.427474 0.077 Uiso 1 1 calc R . . . .
C2 C 0.7285(4) 0.9322(4) 0.3615(4) 0.0934(12) Uani 1 1 d . . . . .
H2A H 0.734457 1.012774 0.389854 0.112 Uiso 1 1 calc R . . . .
H2B H 0.818194 0.866083 0.364289 0.112 Uiso 1 1 calc R . . . .
C3 C 0.6263(5) 0.9563(4) 0.2605(3) 0.0908(12) Uani 1 1 d . . . . .
H3A H 0.570513 1.052050 0.226569 0.109 Uiso 1 1 calc R . . . .
H3B H 0.654124 0.905581 0.201043 0.109 Uiso 1 1 calc R . . . .
C4 C 0.6014(3) 0.7121(3) 0.4211(3) 0.0533(7) Uani 1 1 d . . . . .
H4A H 0.689217 0.671301 0.387655 0.064 Uiso 1 1 calc R . . . .
H4B H 0.606035 0.671143 0.510393 0.064 Uiso 1 1 calc R . . . .
C5 C 0.3474(3) 0.6707(3) 0.4398(2) 0.0430(6) Uani 1 1 d . . . . .
C6 C 0.3271(3) 0.7012(3) 0.5508(2) 0.0563(7) Uani 1 1 d . . . . .
H6 H 0.401908 0.724377 0.585536 0.068 Uiso 1 1 calc R . . . .
C7 C 0.1962(4) 0.6967(4) 0.6085(3) 0.0691(9) Uani 1 1 d . . . . .
H7 H 0.183501 0.715887 0.683099 0.083 Uiso 1 1 calc R . . . .
C8 C 0.0832(4) 0.6646(4) 0.5588(3) 0.0703(9) Uani 1 1 d . . . . .
H8 H -0.004944 0.662381 0.599333 0.084 Uiso 1 1 calc R . . . .
C9 C 0.1010(3) 0.6360(3) 0.4493(3) 0.0574(7) Uani 1 1 d . . . . .
H9 H 0.024281 0.615320 0.414980 0.069 Uiso 1 1 calc R . . . .
C10 C 0.2330(3) 0.6374(3) 0.3888(2) 0.0438(6) Uani 1 1 d . . . . .
C11 C 0.3681(3) 0.6033(3) 0.2243(2) 0.0438(6) Uani 1 1 d . . . . .
C12 C 0.4940(3) 0.6437(3) 0.2657(2) 0.0453(6) Uani 1 1 d . . . . .
C13 C 0.3867(3) 0.5706(3) 0.1038(2) 0.0483(7) Uani 1 1 d . . . . .
H13 H 0.489010 0.541735 0.088578 0.058 Uiso 1 1 calc R . . . .
C14 C 0.3217(4) 0.6999(3) -0.0051(3) 0.0674(9) Uani 1 1 d . . . . .
H14A H 0.323525 0.789744 0.010075 0.081 Uiso 1 1 calc R . . . .
H14B H 0.372995 0.700270 -0.081158 0.081 Uiso 1 1 calc R . . . .
C15 C 0.1702(4) 0.6772(4) -0.0110(3) 0.0761(10) Uani 1 1 d . . . . .
H15A H 0.129546 0.728313 -0.092590 0.091 Uiso 1 1 calc R . . . .
H15B H 0.109996 0.709708 0.049545 0.091 Uiso 1 1 calc R . . . .
C16 C 0.1838(3) 0.5162(3) 0.0175(3) 0.0672(9) Uani 1 1 d . . . . .
H16A H 0.097768 0.482556 0.057487 0.081 Uiso 1 1 calc R . . . .
H16B H 0.201613 0.489284 -0.056963 0.081 Uiso 1 1 calc R . . . .
C17 C 0.3393(3) 0.3263(3) 0.1836(2) 0.0464(6) Uani 1 1 d . . . . .
C18 C 0.2575(3) 0.2134(3) 0.1775(2) 0.0478(7) Uani 1 1 d . . . . .
C19 C 0.2045(3) 0.1293(3) 0.2861(3) 0.0596(8) Uani 1 1 d . . . . .
H19 H 0.216674 0.146433 0.359774 0.072 Uiso 1 1 calc R . . . .
C20 C 0.1334(4) 0.0197(3) 0.2864(3) 0.0745(10) Uani 1 1 d . . . . .
H20 H 0.094621 -0.033931 0.359421 0.089 Uiso 1 1 calc R . . . .
C21 C 0.1202(4) -0.0097(4) 0.1791(4) 0.0762(10) Uani 1 1 d . . . . .
H21 H 0.073169 -0.083871 0.179272 0.091 Uiso 1 1 calc R . . . .
C22 C 0.1763(4) 0.0700(4) 0.0719(3) 0.0728(9) Uani 1 1 d . . . . .
H22 H 0.168529 0.048601 -0.000517 0.087 Uiso 1 1 calc R . . . .
C23 C 0.2444(3) 0.1819(3) 0.0697(3) 0.0591(8) Uani 1 1 d . . . . .
H23 H 0.281380 0.236104 -0.004046 0.071 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
O1 C12 1.226(3) . ?
O2 C17 1.226(3) . ?
N1 C13 1.465(3) . ?
N1 C16 1.460(3) . ?
N1 C17 1.348(3) . ?
N2 C10 1.388(3) . ?
N2 C11 1.290(3) . ?
N3 C4 1.472(3) . ?
N3 C5 1.396(3) . ?
N3 C12 1.373(3) . ?
C1 H1 0.9800 . ?
C1 C2 1.490(4) . ?
C1 C3 1.456(4) . ?
C1 C4 1.500(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.482(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.394(4) . ?
C5 C10 1.398(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.369(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.373(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.366(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.392(4) . ?
C11 C12 1.474(4) . ?
C11 C13 1.509(4) . ?
C13 H13 0.9800 . ?
C13 C14 1.534(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.500(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.513(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.500(4) . ?
C18 C19 1.379(4) . ?
C18 C23 1.384(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.367(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.365(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.380(4) . ?
C23 H23 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
C16 N1 C13 112.4(2) . . ?
C17 N1 C13 119.2(2) . . ?
C17 N1 C16 127.6(2) . . ?
C11 N2 C10 117.7(2) . . ?
C5 N3 C4 121.1(2) . . ?
C12 N3 C4 117.3(2) . . ?
C12 N3 C5 121.5(2) . . ?
C2 C1 H1 115.2 . . ?
C2 C1 C4 118.9(3) . . ?
C3 C1 H1 115.2 . . ?
C3 C1 C2 60.4(2) . . ?
C3 C1 C4 121.0(3) . . ?
C4 C1 H1 115.2 . . ?
C1 C2 H2A 117.9 . . ?
C1 C2 H2B 117.9 . . ?
H2A C2 H2B 115.1 . . ?
C3 C2 C1 58.7(2) . . ?
C3 C2 H2A 117.9 . . ?
C3 C2 H2B 117.9 . . ?
C1 C3 C2 60.9(2) . . ?
C1 C3 H3A 117.7 . . ?
C1 C3 H3B 117.7 . . ?
C2 C3 H3A 117.7 . . ?
C2 C3 H3B 117.7 . . ?
H3A C3 H3B 114.8 . . ?
N3 C4 C1 112.7(2) . . ?
N3 C4 H4A 109.1 . . ?
N3 C4 H4B 109.1 . . ?
C1 C4 H4A 109.1 . . ?
C1 C4 H4B 109.1 . . ?
H4A C4 H4B 107.8 . . ?
N3 C5 C10 117.9(2) . . ?
C6 C5 N3 122.9(2) . . ?
C6 C5 C10 119.2(3) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.5(3) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.2 . . ?
C6 C7 C8 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.5(3) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.6(3) . . ?
C10 C9 H9 119.7 . . ?
N2 C10 C5 122.7(2) . . ?
N2 C10 C9 117.8(2) . . ?
C9 C10 C5 119.5(2) . . ?
N2 C11 C12 124.4(2) . . ?
N2 C11 C13 120.1(2) . . ?
C12 C11 C13 115.4(2) . . ?
O1 C12 N3 122.5(2) . . ?
O1 C12 C11 122.0(2) . . ?
N3 C12 C11 115.6(2) . . ?
N1 C13 C11 112.6(2) . . ?
N1 C13 H13 109.9 . . ?
N1 C13 C14 102.6(2) . . ?
C11 C13 H13 109.9 . . ?
C11 C13 C14 111.8(2) . . ?
C14 C13 H13 109.9 . . ?
C13 C14 H14A 111.1 . . ?
C13 C14 H14B 111.1 . . ?
H14A C14 H14B 109.0 . . ?
C15 C14 C13 103.4(2) . . ?
C15 C14 H14A 111.1 . . ?
C15 C14 H14B 111.1 . . ?
C14 C15 H15A 110.9 . . ?
C14 C15 H15B 110.9 . . ?
C14 C15 C16 104.2(3) . . ?
H15A C15 H15B 108.9 . . ?
C16 C15 H15A 110.9 . . ?
C16 C15 H15B 110.9 . . ?
N1 C16 C15 103.0(2) . . ?
N1 C16 H16A 111.2 . . ?
N1 C16 H16B 111.2 . . ?
C15 C16 H16A 111.2 . . ?
C15 C16 H16B 111.2 . . ?
H16A C16 H16B 109.1 . . ?
O2 C17 N1 121.2(2) . . ?
O2 C17 C18 120.7(2) . . ?
N1 C17 C18 118.1(2) . . ?
C19 C18 C17 118.2(2) . . ?
C19 C18 C23 118.9(3) . . ?
C23 C18 C17 122.6(2) . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(3) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.9(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.8(3) . . ?
C23 C22 H22 119.6 . . ?
C18 C23 H23 120.1 . . ?
C22 C23 C18 119.8(3) . . ?
C22 C23 H23 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
O2 C17 C18 C19 46.2(4) . . . . ?
O2 C17 C18 C23 -127.9(3) . . . . ?
N1 C13 C14 C15 30.2(3) . . . . ?
N1 C17 C18 C19 -133.7(3) . . . . ?
N1 C17 C18 C23 52.2(4) . . . . ?
N2 C11 C12 O1 -176.4(2) . . . . ?
N2 C11 C12 N3 4.7(4) . . . . ?
N2 C11 C13 N1 -37.1(3) . . . . ?
N2 C11 C13 C14 77.8(3) . . . . ?
N3 C5 C6 C7 -179.5(3) . . . . ?
N3 C5 C10 N2 1.6(4) . . . . ?
N3 C5 C10 C9 -179.6(2) . . . . ?
C2 C1 C4 N3 -147.7(3) . . . . ?
C3 C1 C4 N3 -76.8(4) . . . . ?
C4 N3 C5 C6 -2.6(4) . . . . ?
C4 N3 C5 C10 177.3(2) . . . . ?
C4 N3 C12 O1 0.9(4) . . . . ?
C4 N3 C12 C11 179.8(2) . . . . ?
C4 C1 C2 C3 111.3(3) . . . . ?
C4 C1 C3 C2 -107.9(4) . . . . ?
C5 N3 C4 C1 -81.4(3) . . . . ?
C5 N3 C12 O1 177.3(2) . . . . ?
C5 N3 C12 C11 -3.8(3) . . . . ?
C5 C6 C7 C8 -0.8(5) . . . . ?
C6 C5 C10 N2 -178.5(2) . . . . ?
C6 C5 C10 C9 0.3(4) . . . . ?
C6 C7 C8 C9 0.2(5) . . . . ?
C7 C8 C9 C10 0.8(5) . . . . ?
C8 C9 C10 N2 177.9(3) . . . . ?
C8 C9 C10 C5 -1.0(4) . . . . ?
C10 N2 C11 C12 -2.3(4) . . . . ?
C10 N2 C11 C13 -178.2(2) . . . . ?
C10 C5 C6 C7 0.6(4) . . . . ?
C11 N2 C10 C5 -0.9(4) . . . . ?
C11 N2 C10 C9 -179.7(2) . . . . ?
C11 C13 C14 C15 -90.6(3) . . . . ?
C12 N3 C4 C1 95.0(3) . . . . ?
C12 N3 C5 C6 -178.9(2) . . . . ?
C12 N3 C5 C10 1.0(3) . . . . ?
C12 C11 C13 N1 146.7(2) . . . . ?
C12 C11 C13 C14 -98.4(3) . . . . ?
C13 N1 C16 C15 -12.2(3) . . . . ?
C13 N1 C17 O2 0.9(4) . . . . ?
C13 N1 C17 C18 -179.2(2) . . . . ?
C13 C11 C12 O1 -0.4(4) . . . . ?
C13 C11 C12 N3 -179.3(2) . . . . ?
C13 C14 C15 C16 -38.5(3) . . . . ?
C14 C15 C16 N1 31.2(3) . . . . ?
C16 N1 C13 C11 109.2(3) . . . . ?
C16 N1 C13 C14 -11.2(3) . . . . ?
C16 N1 C17 O2 -168.0(3) . . . . ?
C16 N1 C17 C18 11.9(4) . . . . ?
C17 N1 C13 C11 -61.3(3) . . . . ?
C17 N1 C13 C14 178.3(2) . . . . ?
C17 N1 C16 C15 157.3(3) . . . . ?
C17 C18 C19 C20 -177.3(3) . . . . ?
C17 C18 C23 C22 175.5(3) . . . . ?
C18 C19 C20 C21 2.6(5) . . . . ?
C19 C18 C23 C22 1.4(4) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C21 C22 C23 -1.1(5) . . . . ?
C21 C22 C23 C18 0.6(5) . . . . ?
C23 C18 C19 C20 -3.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
