# Supplementary Information (SI) for RSC Advances.
# 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_ntn1003
_database_code_depnum_ccdc_archive 'CCDC 2310877'
loop_
_audit_author_name
_audit_author_address
'Luc Van Meervelt'
;KU Leuven
Belgium
;
_audit_update_record             
;
2023-11-28 deposited with the CCDC.	2024-07-28 downloaded from the CCDC.
;
_audit_creation_date             2022-06-24
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2016/4
loop_
_audit_author_email
luc.vanmeervelt@kuleuven.be
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H19 N3 O2'
_chemical_formula_sum            'C25 H19 N3 O2'
_chemical_formula_weight         393.43
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         C25H19N3O2
_chemical_oxdiff_usercomment     Tinh
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
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                   9.7669(5)
_cell_length_b                   10.7587(8)
_cell_length_c                   18.6574(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1960.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3965
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.3230
_cell_measurement_theta_min      3.0040
_shelx_estimated_absorpt_T_max   0.987
_shelx_estimated_absorpt_T_min   0.958
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'yellowish colourless'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11625
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.367
_diffrn_reflns_theta_min         2.817
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9631
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -90.00  27.00   1.00    4.00    --  -17.15 -19.00   0.00  117
  2  ω    -51.00  49.00   1.00    4.00    --   18.87 -77.00  60.00  100
  3  ω    -72.00 -35.00   1.00    4.00    --  -17.15 121.00 159.00   37
  4  ω    -20.00  25.00   1.00    4.00    --  -17.15 -99.00 -60.00   45
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0194143000
_diffrn_orient_matrix_UB_12      0.0305851000
_diffrn_orient_matrix_UB_13      0.0320932000
_diffrn_orient_matrix_UB_21      0.0183437000
_diffrn_orient_matrix_UB_22      -0.0579920000
_diffrn_orient_matrix_UB_23      0.0153188000
_diffrn_orient_matrix_UB_31      0.0675548000
_diffrn_orient_matrix_UB_32      0.0069424000
_diffrn_orient_matrix_UB_33      -0.0134081000
_diffrn_oxdiff_ac4_digest_frames 
;
01cf8db1e9e0bd9050d94ceb7024c1e8050002843e4
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.743
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                3095
_reflns_number_total             4001
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/4 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 
;
 Flack x determined using 1006 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.1(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4001
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.073
_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)+(0.0420P)²+0.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1066
_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 Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C)
;
_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
N1 N 0.7463(2) 0.4401(2) 0.39525(14) 0.0381(6) Uani 1 1 d . . . . .
C2 C 0.8403(3) 0.4207(3) 0.34057(16) 0.0350(7) Uani 1 1 d . . . . .
N3 N 0.9611(2) 0.4726(2) 0.33503(14) 0.0382(6) Uani 1 1 d . . . . .
C4 C 1.0312(3) 0.4357(3) 0.27504(17) 0.0373(7) Uani 1 1 d . . . . .
C5 C 1.1607(3) 0.4890(3) 0.26109(18) 0.0420(8) Uani 1 1 d . . . . .
H5 H 1.195331 0.550121 0.291308 0.050 Uiso 1 1 calc R U . . .
C6 C 1.2347(3) 0.4507(3) 0.20341(19) 0.0539(9) Uani 1 1 d . . . . .
H6 H 1.320196 0.485681 0.194672 0.065 Uiso 1 1 calc R U . . .
C7 C 1.1843(3) 0.3597(4) 0.1572(2) 0.0587(10) Uani 1 1 d . . . . .
H7 H 1.237492 0.333615 0.118667 0.070 Uiso 1 1 calc R U . . .
C8 C 1.0584(3) 0.3083(3) 0.16752(18) 0.0492(8) Uani 1 1 d . . . . .
H8 H 1.025912 0.248127 0.136008 0.059 Uiso 1 1 calc R U . . .
C9 C 0.9768(3) 0.3466(3) 0.22632(16) 0.0381(7) Uani 1 1 d . . . . .
N10 N 0.8487(2) 0.2965(2) 0.23378(13) 0.0390(6) Uani 1 1 d . . . . .
C11 C 0.7806(3) 0.3368(3) 0.29044(16) 0.0347(7) Uani 1 1 d . . . . .
C12 C 0.6446(3) 0.3079(3) 0.31662(16) 0.0356(7) Uani 1 1 d . . . . .
C13 C 0.6285(3) 0.3725(3) 0.37967(16) 0.0378(7) Uani 1 1 d . . . . .
C14 C 0.7666(3) 0.5263(3) 0.45303(16) 0.0400(7) Uani 1 1 d . . . . .
C15 C 0.8779(3) 0.5111(3) 0.49762(18) 0.0517(9) Uani 1 1 d . . . . .
H15 H 0.938538 0.445491 0.490849 0.062 Uiso 1 1 calc R U . . .
C16 C 0.8976(4) 0.5956(4) 0.5528(2) 0.0655(11) Uani 1 1 d . . . . .
H16 H 0.972706 0.586756 0.582996 0.079 Uiso 1 1 calc R U . . .
C17 C 0.8082(4) 0.6919(4) 0.5634(2) 0.0692(12) Uani 1 1 d . . . . .
H17 H 0.822435 0.747496 0.600770 0.083 Uiso 1 1 calc R U . . .
C18 C 0.6980(4) 0.7062(4) 0.5190(2) 0.0631(10) Uani 1 1 d . . . . .
H18 H 0.636944 0.771190 0.526507 0.076 Uiso 1 1 calc R U . . .
C19 C 0.6770(3) 0.6245(3) 0.46298(18) 0.0489(8) Uani 1 1 d . . . . .
H19 H 0.603211 0.635365 0.432135 0.059 Uiso 1 1 calc R U . . .
C20 C 0.5475(3) 0.2269(3) 0.27910(18) 0.0428(7) Uani 1 1 d . . . . .
O21 O 0.5576(2) 0.1963(3) 0.21762(14) 0.0820(9) Uani 1 1 d . . . . .
O22 O 0.4475(2) 0.1866(2) 0.32108(12) 0.0586(7) Uani 1 1 d . . . . .
C23 C 0.3394(4) 0.1147(4) 0.2870(2) 0.0653(11) Uani 1 1 d . . . . .
H23A H 0.364449 0.027564 0.285193 0.078 Uiso 1 1 calc R U . . .
H23B H 0.324429 0.143867 0.238448 0.078 Uiso 1 1 calc R U . . .
C24 C 0.2131(3) 0.1315(4) 0.3305(2) 0.0645(11) Uani 1 1 d . . . . .
H24A H 0.138489 0.088326 0.308061 0.097 Uiso 1 1 calc R U . . .
H24B H 0.191687 0.218373 0.333769 0.097 Uiso 1 1 calc R U . . .
H24C H 0.227600 0.098518 0.377699 0.097 Uiso 1 1 calc R U . . .
C25 C 0.5092(3) 0.3802(3) 0.42879(16) 0.0373(7) Uani 1 1 d . . . . .
C26 C 0.5209(3) 0.3447(3) 0.49967(17) 0.0470(8) Uani 1 1 d . . . . .
H26 H 0.603620 0.314025 0.516867 0.056 Uiso 1 1 calc R U . . .
C27 C 0.4096(4) 0.3549(3) 0.54503(19) 0.0573(9) Uani 1 1 d . . . . .
H27 H 0.417720 0.330681 0.592695 0.069 Uiso 1 1 calc R U . . .
C28 C 0.2872(3) 0.4004(4) 0.5203(2) 0.0598(10) Uani 1 1 d . . . . .
H28 H 0.212485 0.406510 0.551015 0.072 Uiso 1 1 calc R U . . .
C29 C 0.2755(3) 0.4367(4) 0.4501(2) 0.0588(10) Uani 1 1 d . . . . .
H29 H 0.192784 0.468386 0.433454 0.071 Uiso 1 1 calc R U . . .
C30 C 0.3860(3) 0.4266(3) 0.40384(19) 0.0501(9) Uani 1 1 d . . . . .
H30 H 0.377333 0.450894 0.356222 0.060 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
N1 C2 1.388(4) . ?
N1 C13 1.392(3) . ?
N1 C14 1.436(4) . ?
C2 N3 1.309(3) . ?
C2 C11 1.424(4) . ?
N3 C4 1.371(4) . ?
C4 C5 1.414(4) . ?
C4 C9 1.423(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.360(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.395(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.362(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.417(4) . ?
C9 N10 1.370(4) . ?
N10 C11 1.322(4) . ?
C11 C12 1.449(4) . ?
C12 C13 1.375(4) . ?
C12 C20 1.466(4) . ?
C13 C25 1.484(4) . ?
C14 C15 1.378(4) . ?
C14 C19 1.384(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.386(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.369(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.367(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.380(5) . ?
C19 H19 0.9300 . ?
C20 O21 1.198(4) . ?
C20 O22 1.325(4) . ?
O22 C23 1.455(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.487(5) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.381(4) . ?
C25 C30 1.384(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.382(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.371(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.372(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.387(5) . ?
C30 H30 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
C2 N1 C13 108.3(2) . . ?
C2 N1 C14 123.9(2) . . ?
C13 N1 C14 127.5(2) . . ?
N1 C2 C11 107.9(2) . . ?
N3 C2 N1 126.1(3) . . ?
N3 C2 C11 125.9(3) . . ?
C2 N3 C4 113.0(2) . . ?
N3 C4 C5 118.7(3) . . ?
N3 C4 C9 122.0(2) . . ?
C5 C4 C9 119.3(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C7 120.9(3) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.1(3) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C4 118.7(3) . . ?
N10 C9 C4 122.7(3) . . ?
N10 C9 C8 118.5(3) . . ?
C11 N10 C9 114.3(2) . . ?
C2 C11 C12 106.8(3) . . ?
N10 C11 C2 121.8(3) . . ?
N10 C11 C12 131.3(3) . . ?
C11 C12 C20 124.0(3) . . ?
C13 C12 C11 106.5(2) . . ?
C13 C12 C20 129.4(3) . . ?
N1 C13 C25 119.4(3) . . ?
C12 C13 N1 110.4(2) . . ?
C12 C13 C25 130.2(3) . . ?
C15 C14 N1 119.1(3) . . ?
C15 C14 C19 120.5(3) . . ?
C19 C14 N1 120.4(3) . . ?
C14 C15 H15 120.7 . . ?
C14 C15 C16 118.7(3) . . ?
C16 C15 H15 120.7 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.0(4) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0(4) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(4) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 H19 120.2 . . ?
C18 C19 C14 119.6(3) . . ?
C18 C19 H19 120.2 . . ?
O21 C20 C12 124.6(3) . . ?
O21 C20 O22 122.5(3) . . ?
O22 C20 C12 112.9(3) . . ?
C20 O22 C23 116.8(3) . . ?
O22 C23 H23A 110.2 . . ?
O22 C23 H23B 110.2 . . ?
O22 C23 C24 107.4(3) . . ?
H23A C23 H23B 108.5 . . ?
C24 C23 H23A 110.2 . . ?
C24 C23 H23B 110.2 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C13 120.7(3) . . ?
C26 C25 C30 119.6(3) . . ?
C30 C25 C13 119.7(3) . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0(3) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 120.1 . . ?
C27 C28 C29 119.7(3) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.5(3) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 119.7(3) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 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
N1 C2 N3 C4 -179.8(3) . . . . ?
N1 C2 C11 N10 -177.1(3) . . . . ?
N1 C2 C11 C12 1.0(3) . . . . ?
N1 C13 C25 C26 -60.0(4) . . . . ?
N1 C13 C25 C30 118.2(3) . . . . ?
N1 C14 C15 C16 179.2(3) . . . . ?
N1 C14 C19 C18 179.8(3) . . . . ?
C2 N1 C13 C12 1.0(3) . . . . ?
C2 N1 C13 C25 -178.1(3) . . . . ?
C2 N1 C14 C15 -59.6(4) . . . . ?
C2 N1 C14 C19 119.2(3) . . . . ?
C2 N3 C4 C5 177.3(2) . . . . ?
C2 N3 C4 C9 -2.1(4) . . . . ?
C2 C11 C12 C13 -0.5(3) . . . . ?
C2 C11 C12 C20 178.2(3) . . . . ?
N3 C2 C11 N10 4.5(5) . . . . ?
N3 C2 C11 C12 -177.4(3) . . . . ?
N3 C4 C5 C6 177.5(3) . . . . ?
N3 C4 C9 C8 -176.7(3) . . . . ?
N3 C4 C9 N10 3.5(4) . . . . ?
C4 C5 C6 C7 0.4(5) . . . . ?
C4 C9 N10 C11 -0.7(4) . . . . ?
C5 C4 C9 C8 3.9(4) . . . . ?
C5 C4 C9 N10 -175.9(3) . . . . ?
C5 C6 C7 C8 1.4(5) . . . . ?
C6 C7 C8 C9 -0.5(5) . . . . ?
C7 C8 C9 C4 -2.2(5) . . . . ?
C7 C8 C9 N10 177.7(3) . . . . ?
C8 C9 N10 C11 179.4(3) . . . . ?
C9 C4 C5 C6 -3.0(4) . . . . ?
C9 N10 C11 C2 -2.9(4) . . . . ?
C9 N10 C11 C12 179.5(3) . . . . ?
N10 C11 C12 C13 177.4(3) . . . . ?
N10 C11 C12 C20 -3.9(5) . . . . ?
C11 C2 N3 C4 -1.7(4) . . . . ?
C11 C12 C13 N1 -0.3(3) . . . . ?
C11 C12 C13 C25 178.6(3) . . . . ?
C11 C12 C20 O21 -15.6(5) . . . . ?
C11 C12 C20 O22 162.3(3) . . . . ?
C12 C13 C25 C26 121.2(4) . . . . ?
C12 C13 C25 C30 -60.6(5) . . . . ?
C12 C20 O22 C23 174.6(3) . . . . ?
C13 N1 C2 N3 177.2(3) . . . . ?
C13 N1 C2 C11 -1.2(3) . . . . ?
C13 N1 C14 C15 127.3(3) . . . . ?
C13 N1 C14 C19 -53.9(4) . . . . ?
C13 C12 C20 O21 162.7(4) . . . . ?
C13 C12 C20 O22 -19.3(5) . . . . ?
C13 C25 C26 C27 178.7(3) . . . . ?
C13 C25 C30 C29 -178.4(3) . . . . ?
C14 N1 C2 N3 3.0(5) . . . . ?
C14 N1 C2 C11 -175.4(3) . . . . ?
C14 N1 C13 C12 174.9(3) . . . . ?
C14 N1 C13 C25 -4.1(4) . . . . ?
C14 C15 C16 C17 0.5(5) . . . . ?
C15 C14 C19 C18 -1.4(5) . . . . ?
C15 C16 C17 C18 -0.4(6) . . . . ?
C16 C17 C18 C19 -0.6(6) . . . . ?
C17 C18 C19 C14 1.4(5) . . . . ?
C19 C14 C15 C16 0.4(5) . . . . ?
C20 C12 C13 N1 -178.9(3) . . . . ?
C20 C12 C13 C25 0.0(5) . . . . ?
C20 O22 C23 C24 -153.0(3) . . . . ?
O21 C20 O22 C23 -7.4(5) . . . . ?
C25 C26 C27 C28 -0.2(5) . . . . ?
C26 C25 C30 C29 -0.1(5) . . . . ?
C26 C27 C28 C29 -0.4(6) . . . . ?
C27 C28 C29 C30 0.7(6) . . . . ?
C28 C29 C30 C25 -0.4(5) . . . . ?
C30 C25 C26 C27 0.4(5) . . . . ?

_olex2_submission_original_sample_id Tinh
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.265
_oxdiff_exptl_absorpt_empirical_full_min 0.651
