# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B.
# 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_JMI_SHD_ISD_15032022_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2fmkf2
_database_code_depnum_ccdc_archive 'CCDC 2253124'
loop_
_audit_author_name
_audit_author_address
'Elancheran R'
;Anamalai university
India
;
_audit_update_record             
;
2023-03-31 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
(10s,20s)-5,5,10,15,15,20-hexamethyl-10,20-bis(2,4,6-trifluorophenyl)-5H,10H,15H,20H,22H,24H-porphyrin
_chemical_name_common            Organic
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H48 F6 N6 O2'
_chemical_formula_sum            'C44 H48 F6 N6 O2'
_chemical_formula_weight         806.88

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0181(12)
_cell_length_b                   11.2952(14)
_cell_length_c                   11.6127(15)
_cell_angle_alpha                114.177(4)
_cell_angle_beta                 115.501(4)
_cell_angle_gamma                94.382(4)
_cell_volume                     1029.8(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9966
_cell_measurement_theta_min      2.8272
_cell_measurement_theta_max      29.7641

_exptl_crystal_description       Block
_exptl_crystal_colour            clear
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_F_000             424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.100
_shelx_estimated_absorpt_T_min   0.970
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6946
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest XRD'
_diffrn_measurement_method       'Omega and Phi Scans'
_diffrn_detector_area_resol_mean 7.3910
_diffrn_reflns_number            30397
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.176
_diffrn_reflns_theta_max         30.179
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             6040
_reflns_number_gt                4412
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Apex3 v2017.3-0 (Bruker, 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_refine_special_details          'No need'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0737P)²+0.4989P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6040
_refine_ls_number_parameters     267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0677
_refine_ls_wR_factor_ref         0.1958
_refine_ls_wR_factor_gt          0.1793
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
F1 F 0.72660(18) 0.90458(13) 0.58365(14) 0.0658(4) Uani 1 1 d . . . . .
F2 F 0.44483(16) 0.59396(15) 0.07617(13) 0.0630(4) Uani 1 1 d . . . . .
F3 F 0.97291(18) 0.81403(17) 0.3113(2) 0.0811(5) Uani 1 1 d . . . . .
O1 O 0.26559(18) 0.42222(17) 0.49141(18) 0.0600(4) Uani 1 1 d . . . . .
N1 N 0.42148(18) 0.46096(15) 0.26110(17) 0.0402(3) Uani 1 1 d . . . . .
H1A H 0.519483 0.483626 0.320626 0.048 Uiso 1 1 calc R U . . .
N2 N 0.52470(19) 0.72524(15) 0.57960(17) 0.0404(3) Uani 1 1 d . . . . .
H2A H 0.581131 0.672711 0.568508 0.048 Uiso 1 1 calc R U . . .
N3 N 0.0290(2) 0.4230(2) 0.3423(2) 0.0575(5) Uani 1 1 d . . . . .
C1 C 0.1793(2) 0.4794(2) 0.4377(2) 0.0513(5) Uani 1 1 d . . . . .
H1B H 0.223156 0.569326 0.466398 0.062 Uiso 1 1 calc R U . . .
C3 C -0.0442(4) 0.2826(3) 0.2877(5) 0.1054(13) Uani 1 1 d . . . . .
H5 H 0.033357 0.241903 0.323555 0.158 Uiso 1 1 calc R U . . .
H1 H -0.098589 0.235440 0.182544 0.158 Uiso 1 1 calc R U . . .
H6 H -0.116373 0.276513 0.320341 0.158 Uiso 1 1 calc R U . . .
C4 C -0.0646(4) 0.4972(4) 0.2827(4) 0.0879(9) Uani 1 1 d . . . . .
H3 H -0.001799 0.589568 0.328912 0.132 Uiso 1 1 calc R U . . .
H2 H -0.149606 0.496940 0.300598 0.132 Uiso 1 1 calc R U . . .
H4 H -0.104279 0.454456 0.179098 0.132 Uiso 1 1 calc R U . . .
C5 C 0.8417(3) 0.7901(2) 0.3173(3) 0.0570(5) Uani 1 1 d . . . . .
C6 C 0.8495(3) 0.8579(2) 0.4495(3) 0.0561(5) Uani 1 1 d . . . . .
H22 H 0.942105 0.919225 0.534036 0.067 Uiso 1 1 calc R U . . .
C7 C 0.7142(3) 0.83176(19) 0.4525(2) 0.0483(5) Uani 1 1 d . . . . .
C8 C 0.5731(2) 0.73858(18) 0.3318(2) 0.0422(4) Uani 1 1 d . . . . .
C9 C 0.4182(2) 0.70469(19) 0.3272(2) 0.0418(4) Uani 1 1 d . . . . .
C10 C 0.3412(2) 0.55102(19) 0.2416(2) 0.0405(4) Uani 1 1 d . . . . .
C11 C 0.3227(2) 0.32937(19) 0.1718(2) 0.0450(4) Uani 1 1 d . . . . .
C12 C 0.6182(3) 0.7929(2) 0.8452(2) 0.0558(5) Uani 1 1 d . . . . .
C13 C 0.5125(2) 0.78753(18) 0.7026(2) 0.0448(4) Uani 1 1 d . . . . .
C14 C 0.4340(2) 0.75899(18) 0.4772(2) 0.0410(4) Uani 1 1 d . . . . .
C15 C 0.5787(3) 0.6782(2) 0.2028(2) 0.0476(4) Uani 1 1 d . . . . .
C16 C 0.7086(3) 0.6990(2) 0.1917(3) 0.0553(5) Uani 1 1 d . . . . .
H8 H 0.705630 0.653142 0.103002 0.066 Uiso 1 1 calc R U . . .
C17 C 0.3122(3) 0.7715(2) 0.2477(3) 0.0574(5) Uani 1 1 d . . . . .
H11 H 0.214064 0.752322 0.242353 0.086 Uiso 1 1 calc R U . . .
H10 H 0.295931 0.735164 0.150456 0.086 Uiso 1 1 calc R U . . .
H9 H 0.360960 0.868299 0.300965 0.086 Uiso 1 1 calc R U . . .
C18 C 0.5289(5) 0.8035(4) 0.9275(4) 0.0971(12) Uani 1 1 d . . . . .
H12 H 0.483288 0.875773 0.931445 0.146 Uiso 1 1 calc R U . . .
H13 H 0.599343 0.822334 1.025228 0.146 Uiso 1 1 calc R U . . .
H14 H 0.448442 0.718916 0.876835 0.146 Uiso 1 1 calc R U . . .
C19 C 0.7578(5) 0.9218(3) 0.9341(4) 0.1138(15) Uani 1 1 d . . . . .
H16 H 0.817704 0.911584 0.886553 0.171 Uiso 1 1 calc R U . . .
H17 H 0.821506 0.935103 1.030817 0.171 Uiso 1 1 calc R U . . .
H15 H 0.721474 0.999181 0.940414 0.171 Uiso 1 1 calc R U . . .
C20 C 0.1782(3) 0.3370(2) 0.0959(2) 0.0552(5) Uani 1 1 d . . . . .
H18 H 0.087768 0.263679 0.027433 0.066 Uiso 1 1 calc R U . . .
C21 C 0.1900(2) 0.4755(2) 0.1392(2) 0.0529(5) Uani 1 1 d . . . . .
H19 H 0.108792 0.509337 0.104015 0.063 Uiso 1 1 calc R U . . .
C22 C 0.4084(3) 0.8576(2) 0.6752(3) 0.0546(5) Uani 1 1 d . . . . .
H21 H 0.375577 0.907946 0.738473 0.066 Uiso 1 1 calc R U . . .
C23 C 0.3589(3) 0.8403(2) 0.5337(2) 0.0514(5) Uani 1 1 d . . . . .
H20 H 0.288339 0.877315 0.487522 0.062 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
F1 C7 1.344(2) . ?
F2 C15 1.352(2) . ?
F3 C5 1.358(3) . ?
O1 C1 1.226(3) . ?
N1 C10 1.374(2) . ?
N1 C11 1.376(2) . ?
N1 H1A 0.8600 . ?
N2 C14 1.371(2) . ?
N2 C13 1.375(2) . ?
N2 H2A 0.8600 . ?
N3 C1 1.319(3) . ?
N3 C3 1.432(4) . ?
N3 C4 1.449(3) . ?
C1 H1B 0.9300 . ?
C3 H5 0.9600 . ?
C3 H1 0.9600 . ?
C3 H6 0.9600 . ?
C4 H3 0.9600 . ?
C4 H2 0.9600 . ?
C4 H4 0.9600 . ?
C5 C16 1.360(3) . ?
C5 C6 1.370(3) . ?
C6 C7 1.383(3) . ?
C6 H22 0.9300 . ?
C7 C8 1.389(3) . ?
C8 C15 1.398(3) . ?
C8 C9 1.542(3) . ?
C9 C14 1.520(3) . ?
C9 C10 1.522(3) . ?
C9 C17 1.548(3) . ?
C10 C21 1.363(3) . ?
C11 C20 1.365(3) . ?
C11 C12 1.516(3) 2_666 ?
C12 C13 1.505(3) . ?
C12 C19 1.535(4) . ?
C12 C18 1.545(4) . ?
C13 C22 1.364(3) . ?
C14 C23 1.369(3) . ?
C15 C16 1.374(3) . ?
C16 H8 0.9300 . ?
C17 H11 0.9600 . ?
C17 H10 0.9600 . ?
C17 H9 0.9600 . ?
C18 H12 0.9600 . ?
C18 H13 0.9600 . ?
C18 H14 0.9600 . ?
C19 H16 0.9600 . ?
C19 H17 0.9600 . ?
C19 H15 0.9600 . ?
C20 C21 1.410(3) . ?
C20 H18 0.9300 . ?
C21 H19 0.9300 . ?
C22 C23 1.416(3) . ?
C22 H21 0.9300 . ?
C23 H20 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
C10 N1 C11 110.34(16) . . ?
C10 N1 H1A 124.8 . . ?
C11 N1 H1A 124.8 . . ?
C14 N2 C13 110.18(15) . . ?
C14 N2 H2A 124.9 . . ?
C13 N2 H2A 124.9 . . ?
C1 N3 C3 120.3(2) . . ?
C1 N3 C4 121.5(2) . . ?
C3 N3 C4 118.1(2) . . ?
O1 C1 N3 125.0(2) . . ?
O1 C1 H1B 117.5 . . ?
N3 C1 H1B 117.5 . . ?
N3 C3 H5 109.5 . . ?
N3 C3 H1 109.5 . . ?
H5 C3 H1 109.5 . . ?
N3 C3 H6 109.5 . . ?
H5 C3 H6 109.5 . . ?
H1 C3 H6 109.5 . . ?
N3 C4 H3 109.5 . . ?
N3 C4 H2 109.5 . . ?
H3 C4 H2 109.5 . . ?
N3 C4 H4 109.5 . . ?
H3 C4 H4 109.5 . . ?
H2 C4 H4 109.5 . . ?
F3 C5 C16 118.5(2) . . ?
F3 C5 C6 118.6(2) . . ?
C16 C5 C6 122.9(2) . . ?
C5 C6 C7 117.4(2) . . ?
C5 C6 H22 121.3 . . ?
C7 C6 H22 121.3 . . ?
F1 C7 C6 115.10(19) . . ?
F1 C7 C8 120.47(19) . . ?
C6 C7 C8 124.4(2) . . ?
C7 C8 C15 112.85(18) . . ?
C7 C8 C9 127.16(17) . . ?
C15 C8 C9 119.88(17) . . ?
C14 C9 C10 108.29(15) . . ?
C14 C9 C8 114.12(16) . . ?
C10 C9 C8 110.18(15) . . ?
C14 C9 C17 107.83(15) . . ?
C10 C9 C17 109.33(17) . . ?
C8 C9 C17 106.98(16) . . ?
C21 C10 N1 106.80(17) . . ?
C21 C10 C9 130.36(17) . . ?
N1 C10 C9 122.82(16) . . ?
C20 C11 N1 106.67(18) . . ?
C20 C11 C12 130.68(19) . 2_666 ?
N1 C11 C12 122.07(19) . 2_666 ?
C13 C12 C11 114.20(16) . 2_666 ?
C13 C12 C19 107.0(2) . . ?
C11 C12 C19 108.7(2) 2_666 . ?
C13 C12 C18 108.4(2) . . ?
C11 C12 C18 108.76(19) 2_666 . ?
C19 C12 C18 109.8(3) . . ?
C22 C13 N2 106.95(18) . . ?
C22 C13 C12 128.67(18) . . ?
N2 C13 C12 123.58(18) . . ?
C23 C14 N2 107.24(17) . . ?
C23 C14 C9 129.01(18) . . ?
N2 C14 C9 123.64(15) . . ?
F2 C15 C16 116.18(18) . . ?
F2 C15 C8 118.01(18) . . ?
C16 C15 C8 125.8(2) . . ?
C5 C16 C15 116.5(2) . . ?
C5 C16 H8 121.7 . . ?
C15 C16 H8 121.7 . . ?
C9 C17 H11 109.5 . . ?
C9 C17 H10 109.5 . . ?
H11 C17 H10 109.5 . . ?
C9 C17 H9 109.5 . . ?
H11 C17 H9 109.5 . . ?
H10 C17 H9 109.5 . . ?
C12 C18 H12 109.5 . . ?
C12 C18 H13 109.5 . . ?
H12 C18 H13 109.5 . . ?
C12 C18 H14 109.5 . . ?
H12 C18 H14 109.5 . . ?
H13 C18 H14 109.5 . . ?
C12 C19 H16 109.5 . . ?
C12 C19 H17 109.5 . . ?
H16 C19 H17 109.5 . . ?
C12 C19 H15 109.5 . . ?
H16 C19 H15 109.5 . . ?
H17 C19 H15 109.5 . . ?
C11 C20 C21 108.09(18) . . ?
C11 C20 H18 126.0 . . ?
C21 C20 H18 126.0 . . ?
C10 C21 C20 108.10(18) . . ?
C10 C21 H19 126.0 . . ?
C20 C21 H19 126.0 . . ?
C13 C22 C23 108.10(18) . . ?
C13 C22 H21 126.0 . . ?
C23 C22 H21 126.0 . . ?
C14 C23 C22 107.49(18) . . ?
C14 C23 H20 126.3 . . ?
C22 C23 H20 126.3 . . ?

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
C3 N3 C1 O1 -3.3(4) . . . . ?
C4 N3 C1 O1 -179.3(2) . . . . ?
F3 C5 C6 C7 179.9(2) . . . . ?
C16 C5 C6 C7 -0.5(3) . . . . ?
C5 C6 C7 F1 -177.65(19) . . . . ?
C5 C6 C7 C8 2.1(3) . . . . ?
F1 C7 C8 C15 176.28(17) . . . . ?
C6 C7 C8 C15 -3.5(3) . . . . ?
F1 C7 C8 C9 -0.1(3) . . . . ?
C6 C7 C8 C9 -179.81(19) . . . . ?
C7 C8 C9 C14 -13.2(3) . . . . ?
C15 C8 C9 C14 170.64(16) . . . . ?
C7 C8 C9 C10 -135.31(19) . . . . ?
C15 C8 C9 C10 48.6(2) . . . . ?
C7 C8 C9 C17 105.9(2) . . . . ?
C15 C8 C9 C17 -70.2(2) . . . . ?
C11 N1 C10 C21 0.2(2) . . . . ?
C11 N1 C10 C9 178.88(16) . . . . ?
C14 C9 C10 C21 98.0(2) . . . . ?
C8 C9 C10 C21 -136.6(2) . . . . ?
C17 C9 C10 C21 -19.2(3) . . . . ?
C14 C9 C10 N1 -80.4(2) . . . . ?
C8 C9 C10 N1 45.1(2) . . . . ?
C17 C9 C10 N1 162.36(18) . . . . ?
C10 N1 C11 C20 -0.4(2) . . . . ?
C10 N1 C11 C12 171.77(17) . . . 2_666 ?
C14 N2 C13 C22 2.1(2) . . . . ?
C14 N2 C13 C12 -168.42(18) . . . . ?
C11 C12 C13 C22 160.3(2) 2_666 . . . ?
C19 C12 C13 C22 -79.4(3) . . . . ?
C18 C12 C13 C22 38.9(3) . . . . ?
C11 C12 C13 N2 -31.3(3) 2_666 . . . ?
C19 C12 C13 N2 89.0(3) . . . . ?
C18 C12 C13 N2 -152.7(2) . . . . ?
C13 N2 C14 C23 -2.0(2) . . . . ?
C13 N2 C14 C9 -178.57(17) . . . . ?
C10 C9 C14 C23 -111.5(2) . . . . ?
C8 C9 C14 C23 125.4(2) . . . . ?
C17 C9 C14 C23 6.7(3) . . . . ?
C10 C9 C14 N2 64.3(2) . . . . ?
C8 C9 C14 N2 -58.8(2) . . . . ?
C17 C9 C14 N2 -177.47(18) . . . . ?
C7 C8 C15 F2 -174.81(17) . . . . ?
C9 C8 C15 F2 1.8(3) . . . . ?
C7 C8 C15 C16 3.7(3) . . . . ?
C9 C8 C15 C16 -179.71(19) . . . . ?
F3 C5 C16 C15 -179.83(19) . . . . ?
C6 C5 C16 C15 0.6(3) . . . . ?
F2 C15 C16 C5 176.11(19) . . . . ?
C8 C15 C16 C5 -2.4(3) . . . . ?
N1 C11 C20 C21 0.4(2) . . . . ?
C12 C11 C20 C21 -170.8(2) 2_666 . . . ?
N1 C10 C21 C20 0.1(2) . . . . ?
C9 C10 C21 C20 -178.50(19) . . . . ?
C11 C20 C21 C10 -0.3(3) . . . . ?
N2 C13 C22 C23 -1.4(2) . . . . ?
C12 C13 C22 C23 168.5(2) . . . . ?
N2 C14 C23 C22 1.0(2) . . . . ?
C9 C14 C23 C22 177.4(2) . . . . ?
C13 C22 C23 C14 0.3(3) . . . . ?

_refine_diff_density_max         0.234
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.044



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3:hexane (1:3) and 0.5 ml DMF'
_chemical_compound_source        Synthesized
_chemical_properties_physical    Oxygen-sensitive
_exptl_crystal_preparation       'UV-vis active'
