# Supplementary Information (SI) for Journal of Materials Chemistry C.
# 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_platon_pl
_database_code_depnum_ccdc_archive 'CCDC 2094838'
loop_
_audit_author_name
_audit_author_address
'Geeta Hundal'
;Guru Nanak Dev University, Amritsar, Punjab
India
;
_audit_update_record             
;
2021-07-07 deposited with the CCDC.	2024-09-02 downloaded from the CCDC.
;
_audit_creation_date             2021-07-03
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.06.29 svn.r12e2184c for OlexSys, GUI svn.r6372)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H24 N2 O3'
_chemical_formula_sum            'C28 H24 N2 O3'
_chemical_formula_weight         436.49
_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                   8.698(4)
_cell_length_b                   10.218(4)
_cell_length_c                   17.020(8)
_cell_angle_alpha                99.167(8)
_cell_angle_beta                 98.646(7)
_cell_angle_gamma                108.563(16)
_cell_volume                     1382.6(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1338
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      21.70
_cell_measurement_theta_min      3.05
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.986
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0676 before and 0.0566 after correction.
The Ratio of minimum to maximum transmission is 0.8836.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0910
_diffrn_reflns_av_unetI/netI     0.1263
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21322
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.050
_diffrn_reflns_theta_min         2.687
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.982
_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                2010
_reflns_number_total             6606
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.014(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         6606
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1982
_refine_ls_R_factor_gt           0.0694
_refine_ls_restrained_S_all      0.880
_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)+(0.1100P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1813
_refine_ls_wR_factor_ref         0.2495
_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:
 C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C14(H14), C15(H15), C16(H16), C20(H20), C21(H21), C26(H26),
 C27(H27), C28(H28)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C)
;
_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
O1 O 1.1917(3) 0.2718(3) 0.55292(14) 0.0753(7) Uani 1 1 d . . . . .
O2 O 0.7184(3) 0.1403(3) 0.64980(16) 0.0778(7) Uani 1 1 d . . . . .
O3 O 0.1763(3) 0.4684(3) 0.15347(15) 0.0929(9) Uani 1 1 d . . . . .
N1 N 0.9571(3) 0.2027(3) 0.60210(15) 0.0552(7) Uani 1 1 d . . . . .
N2 N 0.1557(4) 0.1998(4) 0.12811(19) 0.0926(11) Uani 1 1 d . . . . .
C1 C 1.1818(5) 0.2792(4) 0.7283(2) 0.0744(11) Uani 1 1 d . . . . .
H1A H 1.140369 0.352231 0.749577 0.089 Uiso 1 1 calc R U . . .
H1B H 1.266148 0.320035 0.699110 0.089 Uiso 1 1 calc R U . . .
C2 C 1.2583(5) 0.2290(4) 0.7986(2) 0.0898(13) Uani 1 1 d . . . . .
H2A H 1.353497 0.306954 0.832374 0.108 Uiso 1 1 calc R U . . .
H2B H 1.177829 0.199928 0.831931 0.108 Uiso 1 1 calc R U . . .
C3 C 1.3129(5) 0.1062(4) 0.7689(3) 0.1023(15) Uani 1 1 d . . . . .
H3A H 1.402356 0.137763 0.740692 0.123 Uiso 1 1 calc R U . . .
H3B H 1.354323 0.073138 0.815149 0.123 Uiso 1 1 calc R U . . .
C4 C 1.1703(5) -0.0128(4) 0.7124(3) 0.0963(14) Uani 1 1 d . . . . .
H4A H 1.086411 -0.050503 0.742523 0.116 Uiso 1 1 calc R U . . .
H4B H 1.209140 -0.088064 0.692006 0.116 Uiso 1 1 calc R U . . .
C5 C 1.0921(5) 0.0332(4) 0.6405(2) 0.0787(11) Uani 1 1 d . . . . .
H5A H 1.171115 0.059706 0.606126 0.094 Uiso 1 1 calc R U . . .
H5B H 0.995529 -0.045041 0.608218 0.094 Uiso 1 1 calc R U . . .
C6 C 1.0409(4) 0.1580(3) 0.6704(2) 0.0649(10) Uani 1 1 d . . . . .
H6 H 0.957278 0.124005 0.702196 0.078 Uiso 1 1 calc R U . . .
C7 C 0.7889(4) 0.1838(3) 0.5975(2) 0.0575(9) Uani 1 1 d . . . . .
C8 C 0.7008(4) 0.2179(3) 0.52676(18) 0.0502(8) Uani 1 1 d . . . . .
C9 C 0.5339(4) 0.1908(3) 0.5167(2) 0.0610(9) Uani 1 1 d . . . . .
H9 H 0.476470 0.148212 0.553177 0.073 Uiso 1 1 calc R U . . .
C10 C 0.4493(4) 0.2267(3) 0.4518(2) 0.0617(9) Uani 1 1 d . . . . .
H10 H 0.335127 0.204834 0.444872 0.074 Uiso 1 1 calc R U . . .
C11 C 0.5302(4) 0.2937(3) 0.39785(19) 0.0527(8) Uani 1 1 d . . . . .
C12 C 0.7029(4) 0.3205(3) 0.40672(18) 0.0473(8) Uani 1 1 d . . . . .
C13 C 0.7869(4) 0.2806(3) 0.47170(18) 0.0458(7) Uani 1 1 d . . . . .
C14 C 0.7970(4) 0.3844(3) 0.3531(2) 0.0566(8) Uani 1 1 d . . . . .
H14 H 0.744607 0.412097 0.310325 0.068 Uiso 1 1 calc R U . . .
C15 C 0.9615(4) 0.4064(3) 0.3625(2) 0.0624(9) Uani 1 1 d . . . . .
H15 H 1.020283 0.448466 0.326246 0.075 Uiso 1 1 calc R U . . .
C16 C 1.0435(4) 0.3659(3) 0.4268(2) 0.0593(9) Uani 1 1 d . . . . .
H16 H 1.156310 0.381085 0.433001 0.071 Uiso 1 1 calc R U . . .
C17 C 0.9577(4) 0.3040(3) 0.48045(18) 0.0501(8) Uani 1 1 d . . . . .
C18 C 1.0465(5) 0.2603(3) 0.5466(2) 0.0588(9) Uani 1 1 d . . . . .
C19 C 0.4376(4) 0.3394(3) 0.33269(19) 0.0509(8) Uani 1 1 d . . . . .
C20 C 0.4455(4) 0.4761(3) 0.3433(2) 0.0653(10) Uani 1 1 d . . . . .
H20 H 0.510748 0.540002 0.390994 0.078 Uiso 1 1 calc R U . . .
C21 C 0.3591(4) 0.5243(4) 0.2850(2) 0.0648(9) Uani 1 1 d . . . . .
H21 H 0.366353 0.618493 0.294412 0.078 Uiso 1 1 calc R U . . .
C22 C 0.2648(4) 0.4328(4) 0.2149(2) 0.0635(9) Uani 1 1 d . . . . .
C23 C 0.1834(6) 0.6117(4) 0.1626(3) 0.1077(15) Uani 1 1 d . . . . .
H23A H 0.117820 0.621519 0.114741 0.162 Uiso 1 1 calc R U . . .
H23B H 0.296469 0.673019 0.169966 0.162 Uiso 1 1 calc R U . . .
H23C H 0.140503 0.636974 0.209298 0.162 Uiso 1 1 calc R U . . .
C24 C 0.2512(4) 0.2883(4) 0.1999(2) 0.0632(9) Uani 1 1 d . . . . .
C25 C 0.3392(4) 0.2429(3) 0.26022(19) 0.0575(9) Uani 1 1 d . . . . .
C26 C 0.3241(5) 0.0996(4) 0.2429(2) 0.0739(10) Uani 1 1 d . . . . .
H26 H 0.381521 0.064387 0.279756 0.089 Uiso 1 1 calc R U . . .
C27 C 0.2255(6) 0.0130(4) 0.1721(3) 0.1044(15) Uani 1 1 d . . . . .
H27 H 0.213133 -0.082291 0.160590 0.125 Uiso 1 1 calc R U . . .
C28 C 0.1431(6) 0.0674(5) 0.1169(3) 0.1143(17) Uani 1 1 d . . . . .
H28 H 0.074895 0.005754 0.069110 0.137 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
O1 C18 1.218(4) . ?
O2 C7 1.218(4) . ?
O3 C22 1.368(4) . ?
O3 C23 1.428(4) . ?
N1 C6 1.489(4) . ?
N1 C7 1.402(4) . ?
N1 C18 1.397(4) . ?
N2 C24 1.366(4) . ?
N2 C28 1.302(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.520(5) . ?
C1 C6 1.513(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.519(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.501(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.522(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.519(4) . ?
C6 H6 0.9800 . ?
C7 C8 1.478(4) . ?
C8 C9 1.366(4) . ?
C8 C13 1.395(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.399(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(4) . ?
C11 C12 1.418(4) . ?
C11 C19 1.494(4) . ?
C12 C13 1.419(4) . ?
C12 C14 1.416(4) . ?
C13 C17 1.407(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.356(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.406(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.371(4) . ?
C17 C18 1.477(4) . ?
C19 C20 1.357(4) . ?
C19 C25 1.409(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.400(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.354(4) . ?
C22 C24 1.421(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.413(4) . ?
C25 C26 1.406(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.355(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(5) . ?
C28 H28 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
C22 O3 C23 118.6(3) . . ?
C7 N1 C6 116.9(3) . . ?
C18 N1 C6 119.8(3) . . ?
C18 N1 C7 123.3(3) . . ?
C28 N2 C24 117.6(3) . . ?
H1A C1 H1B 108.0 . . ?
C2 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
C6 C1 H1A 109.4 . . ?
C6 C1 H1B 109.4 . . ?
C6 C1 C2 111.0(3) . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C3 C2 C1 111.9(3) . . ?
C3 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C4 C3 C2 110.4(3) . . ?
C4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
C3 C4 H4A 109.1 . . ?
C3 C4 H4B 109.1 . . ?
C3 C4 C5 112.6(3) . . ?
H4A C4 H4B 107.8 . . ?
C5 C4 H4A 109.1 . . ?
C5 C4 H4B 109.1 . . ?
C4 C5 H5A 109.6 . . ?
C4 C5 H5B 109.6 . . ?
H5A C5 H5B 108.1 . . ?
C6 C5 C4 110.4(3) . . ?
C6 C5 H5A 109.6 . . ?
C6 C5 H5B 109.6 . . ?
N1 C6 C1 113.1(3) . . ?
N1 C6 C5 112.1(3) . . ?
N1 C6 H6 106.1 . . ?
C1 C6 C5 112.7(3) . . ?
C1 C6 H6 106.1 . . ?
C5 C6 H6 106.1 . . ?
O2 C7 N1 120.9(3) . . ?
O2 C7 C8 121.5(3) . . ?
N1 C7 C8 117.5(3) . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 C13 120.0(3) . . ?
C13 C8 C7 120.7(3) . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.8(3) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C12 118.5(3) . . ?
C10 C11 C19 120.3(3) . . ?
C12 C11 C19 121.2(3) . . ?
C11 C12 C13 119.1(3) . . ?
C14 C12 C11 123.2(3) . . ?
C14 C12 C13 117.7(3) . . ?
C8 C13 C12 120.2(3) . . ?
C8 C13 C17 119.9(3) . . ?
C17 C13 C12 119.9(3) . . ?
C12 C14 H14 119.1 . . ?
C15 C14 C12 121.7(3) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C13 C17 C18 120.6(3) . . ?
C16 C17 C13 120.4(3) . . ?
C16 C17 C18 119.0(3) . . ?
O1 C18 N1 120.3(3) . . ?
O1 C18 C17 122.1(3) . . ?
N1 C18 C17 117.6(3) . . ?
C20 C19 C11 119.9(3) . . ?
C20 C19 C25 118.7(3) . . ?
C25 C19 C11 121.4(3) . . ?
C19 C20 H20 118.8 . . ?
C19 C20 C21 122.4(3) . . ?
C21 C20 H20 118.8 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(3) . . ?
C22 C21 H21 120.2 . . ?
O3 C22 C24 114.5(3) . . ?
C21 C22 O3 124.6(3) . . ?
C21 C22 C24 120.9(3) . . ?
O3 C23 H23A 109.5 . . ?
O3 C23 H23B 109.5 . . ?
O3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 C22 119.0(3) . . ?
N2 C24 C25 122.9(3) . . ?
C25 C24 C22 118.1(3) . . ?
C19 C25 C24 120.4(3) . . ?
C26 C25 C19 123.2(3) . . ?
C26 C25 C24 116.5(3) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(3) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.6(4) . . ?
C28 C27 H27 120.2 . . ?
N2 C28 C27 123.9(4) . . ?
N2 C28 H28 118.1 . . ?
C27 C28 H28 118.1 . . ?

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 C7 C8 C9 -4.7(5) . . . . ?
O2 C7 C8 C13 173.7(3) . . . . ?
O3 C22 C24 N2 0.4(5) . . . . ?
O3 C22 C24 C25 179.8(3) . . . . ?
N1 C7 C8 C9 175.1(3) . . . . ?
N1 C7 C8 C13 -6.6(4) . . . . ?
N2 C24 C25 C19 179.1(3) . . . . ?
N2 C24 C25 C26 0.0(5) . . . . ?
C1 C2 C3 C4 -55.5(5) . . . . ?
C2 C1 C6 N1 177.7(3) . . . . ?
C2 C1 C6 C5 -53.8(4) . . . . ?
C2 C3 C4 C5 55.9(5) . . . . ?
C3 C4 C5 C6 -54.8(5) . . . . ?
C4 C5 C6 N1 -177.5(3) . . . . ?
C4 C5 C6 C1 53.4(4) . . . . ?
C6 N1 C7 O2 4.0(4) . . . . ?
C6 N1 C7 C8 -175.7(2) . . . . ?
C6 N1 C18 O1 1.4(4) . . . . ?
C6 N1 C18 C17 -179.5(2) . . . . ?
C6 C1 C2 C3 54.5(5) . . . . ?
C7 N1 C6 C1 -117.5(3) . . . . ?
C7 N1 C6 C5 113.7(3) . . . . ?
C7 N1 C18 O1 -178.7(3) . . . . ?
C7 N1 C18 C17 0.5(4) . . . . ?
C7 C8 C9 C10 177.8(3) . . . . ?
C7 C8 C13 C12 -176.3(2) . . . . ?
C7 C8 C13 C17 3.9(4) . . . . ?
C8 C9 C10 C11 -2.0(5) . . . . ?
C8 C13 C17 C16 -179.8(3) . . . . ?
C8 C13 C17 C18 1.2(4) . . . . ?
C9 C8 C13 C12 2.0(4) . . . . ?
C9 C8 C13 C17 -177.8(3) . . . . ?
C9 C10 C11 C12 2.9(5) . . . . ?
C9 C10 C11 C19 -175.8(3) . . . . ?
C10 C11 C12 C13 -1.4(4) . . . . ?
C10 C11 C12 C14 177.9(3) . . . . ?
C10 C11 C19 C20 98.8(4) . . . . ?
C10 C11 C19 C25 -80.2(4) . . . . ?
C11 C12 C13 C8 -1.0(4) . . . . ?
C11 C12 C13 C17 178.8(3) . . . . ?
C11 C12 C14 C15 -178.9(3) . . . . ?
C11 C19 C20 C21 -178.8(3) . . . . ?
C11 C19 C25 C24 179.2(3) . . . . ?
C11 C19 C25 C26 -1.7(5) . . . . ?
C12 C11 C19 C20 -79.8(4) . . . . ?
C12 C11 C19 C25 101.2(4) . . . . ?
C12 C13 C17 C16 0.4(4) . . . . ?
C12 C13 C17 C18 -178.6(3) . . . . ?
C12 C14 C15 C16 -0.2(5) . . . . ?
C13 C8 C9 C10 -0.5(5) . . . . ?
C13 C12 C14 C15 0.5(4) . . . . ?
C13 C17 C18 O1 175.7(3) . . . . ?
C13 C17 C18 N1 -3.4(4) . . . . ?
C14 C12 C13 C8 179.6(2) . . . . ?
C14 C12 C13 C17 -0.6(4) . . . . ?
C14 C15 C16 C17 0.0(5) . . . . ?
C15 C16 C17 C13 -0.1(4) . . . . ?
C15 C16 C17 C18 179.0(3) . . . . ?
C16 C17 C18 O1 -3.3(5) . . . . ?
C16 C17 C18 N1 177.5(3) . . . . ?
C18 N1 C6 C1 62.4(4) . . . . ?
C18 N1 C6 C5 -66.3(4) . . . . ?
C18 N1 C7 O2 -175.9(3) . . . . ?
C18 N1 C7 C8 4.3(4) . . . . ?
C19 C11 C12 C13 177.3(3) . . . . ?
C19 C11 C12 C14 -3.4(4) . . . . ?
C19 C20 C21 C22 -0.6(5) . . . . ?
C19 C25 C26 C27 179.3(4) . . . . ?
C20 C19 C25 C24 0.2(5) . . . . ?
C20 C19 C25 C26 179.2(3) . . . . ?
C20 C21 C22 O3 -179.4(3) . . . . ?
C20 C21 C22 C24 0.6(5) . . . . ?
C21 C22 C24 N2 -179.5(3) . . . . ?
C21 C22 C24 C25 -0.1(5) . . . . ?
C22 C24 C25 C19 -0.2(5) . . . . ?
C22 C24 C25 C26 -179.4(3) . . . . ?
C23 O3 C22 C21 0.5(5) . . . . ?
C23 O3 C22 C24 -179.5(3) . . . . ?
C24 N2 C28 C27 -2.4(7) . . . . ?
C24 C25 C26 C27 -1.6(5) . . . . ?
C25 C19 C20 C21 0.2(5) . . . . ?
C25 C26 C27 C28 1.2(7) . . . . ?
C26 C27 C28 N2 0.9(8) . . . . ?
C28 N2 C24 C22 -178.7(4) . . . . ?
C28 N2 C24 C25 2.0(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.803 -0.612 1.000 381.8 137.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT026_platon_pl           
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low .. 30% Check
RESPONSE: Crystal diffract weakly, several attempts were made to improve 
crystal quality.This crystal was found best.
;
# end Validation Reply Form
